Related Searches: 5-Bromopyridine-2-carboxylic acid, 5-Methylpyrazine-2-carboxylic acid, 2-Amino-5-bromopyridine, 2-Hydroxy-5-bromopyridine, 2-Trifluoromethyl-5-bromopyridine, View all

5-Bromopyridine-2-carboxylic acid(CAS No. 30766-11-1)

5-Bromopyridine-2-carboxylic acid C6H4BrNO2 (cas 30766-11-1) Molecular Structure

30766-11-1 Structure

Identification and Related Records

【Name】
5-Bromopyridine-2-carboxylic acid
【Iupac name】
5-bromopyridine-2-carboxylic acid
【CAS Registry number】
30766-11-1
【Synonyms】
Picolinic acid, 5-bromo- (6CI,8CI)
5-Bromo-2-picolinicacid
5-Bromo-2-pyridinecarboxylic acid
5-Bromopicolinic acid
【Molecular Formula】
C6H4BrNO2 (Products with the same molecular formula)
【Molecular Weight】
202
【Inchi】
InChI=1/C6H4BrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)/p-1
【Canonical SMILES】
C1=CC(=NC=C1Br)C(=O)O
【MOL File】
30766-11-1.mol

Chemical and Physical Properties

【Appearance】
white cryst
【Density】
1.813 g/cm3
【Melting Point】
173-175°C
【Boiling Point】
319.5°Cat760mmHg
【Flash Point】
147 °C
【Computed Properties】
Molecular Weight:202.00546 [g/mol]
Molecular Formula:C6H4BrNO2
XLogP3-AA:1.4
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:200.942541
MonoIsotopic Mass:200.942541
Topological Polar Surface Area:50.2
Heavy Atom Count:10
Formal Charge:0
Complexity:140
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
24/25-36-26
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

Supplier Location

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