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

C10H8FNO2 — CID 65335195

IUPAC7-fluoro-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2c(F)cccc2c1C(=O)O
InChIInChI=1S/C10H8FNO2/c1-5-8(10(13)14)6-3-2-4-7(11)9(6)12-5/h2-4,12H,1H3,(H,13,14)
InChIKeyWKNFYTABCMCFIQ-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.31
Rot. Bonds1

About 7-fluoro-2-methyl-1H-indole-3-carboxylic acid

7-fluoro-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 65335195) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-methyl-1H-indole-3-carboxylic acid
PubChem CID65335195
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name7-fluoro-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2c(F)cccc2c1C(=O)O
InChIInChI=1S/C10H8FNO2/c1-5-8(10(13)14)6-3-2-4-7(11)9(6)12-5/h2-4,12H,1H3,(H,13,14)
InChIKeyWKNFYTABCMCFIQ-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

3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
CID 96788078
2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
CID 84674927
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
5,7-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335196
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 65335308
7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
CID 70139049
7-fluoro-2-methyl-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 110851915
3-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 84620839
5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 105464701
1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one
CID 107431840
2-fluoro-6-methylbenzoic acid
CID 13478132

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 7-fluoro-2-methyl-1H-indole-3-carboxylic acid (CID 65335195) is 7-fluoro-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-fluoro-2-methyl-1H-indole-3-carboxylic acid is Cc1[nH]c2c(F)cccc2c1C(=O)O.
What is the InChIKey of 7-fluoro-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is WKNFYTABCMCFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-5-8(10(13)14)6-3-2-4-7(11)9(6)12-5/h2-4,12H,1H3,(H,13,14).
What are the key properties of 7-fluoro-2-methyl-1H-indole-3-carboxylic acid?
7-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 7-fluoro-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 65335195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).