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

C11H10FNO2 — CID 84674927

IUPAC2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
SMILESCCc1[nH]c2c(F)cccc2c1C(=O)O
InChIInChI=1S/C11H10FNO2/c1-2-8-9(11(14)15)6-4-3-5-7(12)10(6)13-8/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyVVUXQBOBEWFPQY-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.57
Rot. Bonds2

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

2-ethyl-7-fluoro-1H-indole-3-carboxylic acid (PubChem CID 84674927) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
PubChem CID84674927
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
SMILESCCc1[nH]c2c(F)cccc2c1C(=O)O
InChIInChI=1S/C11H10FNO2/c1-2-8-9(11(14)15)6-4-3-5-7(12)10(6)13-8/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyVVUXQBOBEWFPQY-UHFFFAOYSA-N
XLogP2.57
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one
CID 107431840
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
3-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 84620839
1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115037629
3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
CID 96788078
8-fluoro-2-[[5-(6-fluoro-3-pyridinyl)-2-pyridinyl]methyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 66914575
4-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 132842983
7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
CID 70139049
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate
CID 4580008
7-fluoro-1H-indole-3-carboxylic acid
CID 28806320
2-fluoro-6-(hydroxymethyl)benzoic acid
CID 46831349

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid?
The IUPAC name of 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid (CID 84674927) is 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid is CCc1[nH]c2c(F)cccc2c1C(=O)O.
What is the InChIKey of 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid?
The InChIKey is VVUXQBOBEWFPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-8-9(11(14)15)6-4-3-5-7(12)10(6)13-8/h3-5,13H,2H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid?
2-ethyl-7-fluoro-1H-indole-3-carboxylic acid has a molecular weight of 207.20 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 84674927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).