5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid

C10H7F2NO2 — CID 105464701

IUPAC5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2cc(F)c(F)cc2c1C(=O)O
InChIInChI=1S/C10H7F2NO2/c1-4-9(10(14)15)5-2-6(11)7(12)3-8(5)13-4/h2-3,13H,1H3,(H,14,15)
InChIKeyWZRXDGLEFULBBH-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.45
Rot. Bonds1

About 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid

5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 105464701) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
PubChem CID105464701
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2cc(F)c(F)cc2c1C(=O)O
InChIInChI=1S/C10H7F2NO2/c1-4-9(10(14)15)5-2-6(11)7(12)3-8(5)13-4/h2-3,13H,1H3,(H,14,15)
InChIKeyWZRXDGLEFULBBH-UHFFFAOYSA-N
XLogP2.45
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
5,7-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335196
5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311786
6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
CID 10380367
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
2-chloro-5,6-dimethyl-1H-indole-3-carboxylic acid
CID 82269063
5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311889
5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid
CID 22311939
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
2,4-difluoro-6-methylbenzoic acid
CID 119005612
(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
CID 82092209

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid (CID 105464701) is 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid is Cc1[nH]c2cc(F)c(F)cc2c1C(=O)O.
What is the InChIKey of 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is WZRXDGLEFULBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c1-4-9(10(14)15)5-2-6(11)7(12)3-8(5)13-4/h2-3,13H,1H3,(H,14,15).
What are the key properties of 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid?
5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid has a molecular weight of 211.17 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 105464701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).