2-methyl-3-[(pyridin-2-ylmethyl)amino]benzoic acid

2-methyl-3-[(pyridin-2-ylmethyl)amino]benzoic acid

CAS: 881445-78-9

Formula: C14H14N2O2

SMILES: CC1=C(NCC2=CC=CC=N2)C=CC=C1C(O)=O

IUPAC: 2-methyl-3-{[(pyridin-2-yl)methyl]amino}benzoic acid

InChI: InChI=1S/C14H14N2O2/c1-10-12(14(17)18)6-4-7-13(10)16-9-11-5-2-3-8-15-11/h2-8,16H,9H2,1H3,(H,17,18)

Composition: C (69.41%), H (5.82%), N (11.56%), O (13.21%)

Molar Mass: 242.278

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	242.105527699
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HAUFZEHUDXFIIB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.48
Topological Polar Surface Area	62.22
Polarizability	26.09
Ring Count	2
Rotatable Bond Count	4

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