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6-methyl-2-(pyridin-4-yl)quinoline-4-carboxylic acid

6-methyl-2-(pyridin-4-yl)quinoline-4-carboxylic acid

CAS: 5486-67-9

Formula: C16H12N2O2

SMILES: CC1=CC2=C(C=C(N=C2C=C1)C1=CC=NC=C1)C(O)=O

IUPAC: 6-methyl-2-(pyridin-4-yl)quinoline-4-carboxylic acid

InChI: InChI=1S/C16H12N2O2/c1-10-2-3-14-12(8-10)13(16(19)20)9-15(18-14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,20)

Composition: C (72.72%), H (4.58%), N (10.60%), O (12.11%)

Molar Mass: 264.284

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 264.089877634
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XLXSVFLOMPKIHG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.88
Topological Polar Surface Area 63.08
Polarizability 31.14
Ring Count 3
Rotatable Bond Count 2

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