8-fluoro-2-methylquinoline-4-carboxylic acid

8-fluoro-2-methylquinoline-4-carboxylic acid

CAS: 288151-68-8

Formula: C11H8FNO2

SMILES: CC1=NC2=C(F)C=CC=C2C(=C1)C(O)=O

IUPAC: 8-fluoro-2-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C11H8FNO2/c1-6-5-8(11(14)15)7-3-2-4-9(12)10(7)13-6/h2-5H,1H3,(H,14,15)

Composition: C (64.39%), H (3.93%), F (9.26%), N (6.83%), O (15.59%)

Molar Mass: 205.188

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	205.053906665
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FJAJACPHCDNIBI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.04
Topological Polar Surface Area	50.19
Polarizability	20.71
Ring Count	2
Rotatable Bond Count	1

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