3-bromo-5-methylpyridine-2-carboxylic acid

3-bromo-5-methylpyridine-2-carboxylic acid

CAS: 1211515-68-2

Formula: C7H6BrNO2

SMILES: CC1=CC(Br)=C(N=C1)C(O)=O

IUPAC: 3-bromo-5-methylpyridine-2-carboxylic acid

InChI: InChI=1S/C7H6BrNO2/c1-4-2-5(8)6(7(10)11)9-3-4/h2-3H,1H3,(H,10,11)

Composition: C (38.92%), H (2.80%), Br (36.99%), N (6.48%), O (14.81%)

Molar Mass: 216.034

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.958191
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BAFGEDISONEYIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.45
Topological Polar Surface Area	50.19
Polarizability	16.55
Ring Count	1
Rotatable Bond Count	1

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