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5-bromo-2-{[(4-methoxyphenyl)methyl]amino}pyridine-3-carboxylic acid

5-bromo-2-{[(4-methoxyphenyl)methyl]amino}pyridine-3-carboxylic acid

CAS: 1456000-34-2

Formula: C14H13BrN2O3

SMILES: COC1=CC=C(CNC2=C(C=C(Br)C=N2)C(O)=O)C=C1

IUPAC: 5-bromo-2-{[(4-methoxyphenyl)methyl]amino}pyridine-3-carboxylic acid

InChI: InChI=1S/C14H13BrN2O3/c1-20-11-4-2-9(3-5-11)7-16-13-12(14(18)19)6-10(15)8-17-13/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19)

Composition: C (49.87%), H (3.89%), Br (23.70%), N (8.31%), O (14.24%)

Molar Mass: 337.173

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 336.010955
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey DQWQZYIWJHDTRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.36
Topological Polar Surface Area 71.45
Polarizability 29.72
Ring Count 2
Rotatable Bond Count 5

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