6-fluoro-5-methyl-1H-indole-2-carboxylic acid

6-fluoro-5-methyl-1H-indole-2-carboxylic acid

CAS: 1049685-22-4

Formula: C10H8FNO2

SMILES: CC1=C(F)C=C2NC(=CC2=C1)C(O)=O

IUPAC: 6-fluoro-5-methyl-1H-indole-2-carboxylic acid

InChI: InChI=1S/C10H8FNO2/c1-5-2-6-3-9(10(13)14)12-8(6)4-7(5)11/h2-4,12H,1H3,(H,13,14)

Composition: C (62.18%), H (4.17%), F (9.83%), N (7.25%), O (16.56%)

Molar Mass: 193.177

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	193.053906665
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VVELWWVPBQYYNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.54
Topological Polar Surface Area	53.09
Polarizability	19.3
Ring Count	2
Rotatable Bond Count	1

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