7-fluoro-5-methyl-1H-indole-3-carboxylic acid

C10H8FNO2 — CID 130048529

IUPAC7-fluoro-5-methyl-1H-indole-3-carboxylic acid
SMILESCc1cc(F)c2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C10H8FNO2/c1-5-2-6-7(10(13)14)4-12-9(6)8(11)3-5/h2-4,12H,1H3,(H,13,14)
InChIKeySZVOCMXZSNKDFG-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.31
Rot. Bonds1

About 7-fluoro-5-methyl-1H-indole-3-carboxylic acid

7-fluoro-5-methyl-1H-indole-3-carboxylic acid (PubChem CID 130048529) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-5-methyl-1H-indole-3-carboxylic acid
PubChem CID130048529
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name7-fluoro-5-methyl-1H-indole-3-carboxylic acid
SMILESCc1cc(F)c2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C10H8FNO2/c1-5-2-6-7(10(13)14)4-12-9(6)8(11)3-5/h2-4,12H,1H3,(H,13,14)
InChIKeySZVOCMXZSNKDFG-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

6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
7-fluoro-1H-indole-3-carboxylic acid
CID 28806320
8-fluoro-3-iodo-6-methyl-1H-quinolin-4-one
CID 102614971
7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53413169
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
5-fluoro-6-methyl-1H-indole-3-carboxylic acid
CID 118644697
(E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide
CID 130341415
1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone
CID 126706430
8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941662
5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 107593505
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
3-acetyl-2-fluoro-5-methylbenzoic acid
CID 164892614

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 7-fluoro-5-methyl-1H-indole-3-carboxylic acid (CID 130048529) is 7-fluoro-5-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-5-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-fluoro-5-methyl-1H-indole-3-carboxylic acid is Cc1cc(F)c2[nH]cc(C(=O)O)c2c1.
What is the InChIKey of 7-fluoro-5-methyl-1H-indole-3-carboxylic acid?
The InChIKey is SZVOCMXZSNKDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-5-2-6-7(10(13)14)4-12-9(6)8(11)3-5/h2-4,12H,1H3,(H,13,14).
What are the key properties of 7-fluoro-5-methyl-1H-indole-3-carboxylic acid?
7-fluoro-5-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-5-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 130048529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).