6-fluoro-2-methyl-1H-indole-3-carboxylic acid

C10H8FNO2 — CID 82402312

IUPAC6-fluoro-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2cc(F)ccc2c1C(=O)O
InChIInChI=1S/C10H8FNO2/c1-5-9(10(13)14)7-3-2-6(11)4-8(7)12-5/h2-4,12H,1H3,(H,13,14)
InChIKeyAOWKJKMZMSDPHD-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.31
Rot. Bonds1

About 6-fluoro-2-methyl-1H-indole-3-carboxylic acid

6-fluoro-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 82402312) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-methyl-1H-indole-3-carboxylic acid
PubChem CID82402312
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name6-fluoro-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2cc(F)ccc2c1C(=O)O
InChIInChI=1S/C10H8FNO2/c1-5-9(10(13)14)7-3-2-6(11)4-8(7)12-5/h2-4,12H,1H3,(H,13,14)
InChIKeyAOWKJKMZMSDPHD-UHFFFAOYSA-N
XLogP2.31
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 105464701
(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 110849017
6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide
CID 110849220
N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110848225
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042
6-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859831
(4-fluorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 154187614
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
2-amino-6-fluoro-1H-indole-3-carboxamide
CID 59189715

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 6-fluoro-2-methyl-1H-indole-3-carboxylic acid (CID 82402312) is 6-fluoro-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-fluoro-2-methyl-1H-indole-3-carboxylic acid is Cc1[nH]c2cc(F)ccc2c1C(=O)O.
What is the InChIKey of 6-fluoro-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is AOWKJKMZMSDPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-5-9(10(13)14)7-3-2-6(11)4-8(7)12-5/h2-4,12H,1H3,(H,13,14).
What are the key properties of 6-fluoro-2-methyl-1H-indole-3-carboxylic acid?
6-fluoro-2-methyl-1H-indole-3-carboxylic acid has a molecular weight of 193.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 82402312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).