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

C10H8FNO2 — CID 1132967

IUPAC5-fluoro-3-methyl-1H-indole-2-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H8FNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyXNWVWEWWPNKNJX-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.31
Rot. Bonds1

About 5-fluoro-3-methyl-1H-indole-2-carboxylic acid

5-fluoro-3-methyl-1H-indole-2-carboxylic acid (PubChem CID 1132967) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-3-methyl-1H-indole-2-carboxylic acid
PubChem CID1132967
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name5-fluoro-3-methyl-1H-indole-2-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H8FNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyXNWVWEWWPNKNJX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-3-methyl-1H-indol-2-yl)butan-1-one
CID 162435460
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
ethane;1-(5-fluoro-3-methyl-1H-indol-2-yl)-3-methylbutan-1-one
CID 162435430
3-(carboxymethyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 18780519
3-(2-aminopropyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 170891713
5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113204635
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 83859681
5-fluoro-3-[[(4-methylbenzoyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 82214080
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204665

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 5-fluoro-3-methyl-1H-indole-2-carboxylic acid (CID 1132967) is 5-fluoro-3-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-3-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-fluoro-3-methyl-1H-indole-2-carboxylic acid is Cc1c(C(=O)O)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-1H-indole-2-carboxylic acid?
The InChIKey is XNWVWEWWPNKNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14).
What are the key properties of 5-fluoro-3-methyl-1H-indole-2-carboxylic acid?
5-fluoro-3-methyl-1H-indole-2-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 5-fluoro-3-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 1132967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).