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

C11H10FNO2 — CID 132842983

IUPAC4-ethyl-7-fluoro-1H-indole-2-carboxylic acid
SMILESCCc1ccc(F)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C11H10FNO2/c1-2-6-3-4-8(12)10-7(6)5-9(13-10)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyHRQCBPWRHWDIOX-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.57
Rot. Bonds2

About 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid

4-ethyl-7-fluoro-1H-indole-2-carboxylic acid (PubChem CID 132842983) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-7-fluoro-1H-indole-2-carboxylic acid
PubChem CID132842983
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name4-ethyl-7-fluoro-1H-indole-2-carboxylic acid
SMILESCCc1ccc(F)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C11H10FNO2/c1-2-6-3-4-8(12)10-7(6)5-9(13-10)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyHRQCBPWRHWDIOX-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

4-amino-7-fluoro-1H-indole-2-carboxylic acid
CID 82401505
5-ethyl-8-fluoro-3-hydroxy-1H-quinolin-2-one
CID 68636296
5-[1-(4-ethyl-7-fluoro-1H-indol-2-yl)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 163788439
3-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 84620839
5-fluoro-8-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517714
2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
CID 84674927
6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017454
4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 167886372
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid
CID 130052423
4-ethyl-5-methyl-1H-indole-2-carboxylic acid
CID 21396319
8-bromo-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517726

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid (CID 132842983) is 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid is CCc1ccc(F)c2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid?
The InChIKey is HRQCBPWRHWDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-6-3-4-8(12)10-7(6)5-9(13-10)11(14)15/h3-5,13H,2H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid?
4-ethyl-7-fluoro-1H-indole-2-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 4-ethyl-7-fluoro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 132842983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).