2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid

C16H12FNO2 — CID 19005913

IUPAC2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid
SMILESCn1c(-c2ccccc2F)c(C(=O)O)c2ccccc21
InChIInChI=1S/C16H12FNO2/c1-18-13-9-5-3-7-11(13)14(16(19)20)15(18)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,19,20)
InChIKeyZCGSCYZOWHOWNU-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.68
Rot. Bonds2

About 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid

2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid (PubChem CID 19005913) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid
PubChem CID19005913
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid
SMILESCn1c(-c2ccccc2F)c(C(=O)O)c2ccccc21
InChIInChI=1S/C16H12FNO2/c1-18-13-9-5-3-7-11(13)14(16(19)20)15(18)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,19,20)
InChIKeyZCGSCYZOWHOWNU-UHFFFAOYSA-N
XLogP3.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-methylindole-3-carboxylic acid
CID 19005908
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
2-bromo-1-methylindole-3-carboxylic acid
CID 10800903
4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
CID 117225051
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
CID 105494099
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
2-cycloheptyl-1-methylindole-3-carboxylic acid
CID 69072788
1-chloro-2-phenylindole-3-carboxylic acid
CID 174717674
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]benzoic acid
CID 114560340
(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
CID 154119569

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid (CID 19005913) is 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid is Cn1c(-c2ccccc2F)c(C(=O)O)c2ccccc21.
What is the InChIKey of 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid?
The InChIKey is ZCGSCYZOWHOWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-18-13-9-5-3-7-11(13)14(16(19)20)15(18)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid?
2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 19005913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).