4-chloro-7-methyl-1H-indole-3-carboxylic acid

C10H8ClNO2 — CID 131457272

IUPAC4-chloro-7-methyl-1H-indole-3-carboxylic acid
SMILESCc1ccc(Cl)c2c(C(=O)O)c[nH]c12
InChIInChI=1S/C10H8ClNO2/c1-5-2-3-7(11)8-6(10(13)14)4-12-9(5)8/h2-4,12H,1H3,(H,13,14)
InChIKeyKIJUQMAKEAFWSW-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.83
Rot. Bonds1

About 4-chloro-7-methyl-1H-indole-3-carboxylic acid

4-chloro-7-methyl-1H-indole-3-carboxylic acid (PubChem CID 131457272) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 4-chloro-7-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-7-methyl-1H-indole-3-carboxylic acid
PubChem CID131457272
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name4-chloro-7-methyl-1H-indole-3-carboxylic acid
SMILESCc1ccc(Cl)c2c(C(=O)O)c[nH]c12
InChIInChI=1S/C10H8ClNO2/c1-5-2-3-7(11)8-6(10(13)14)4-12-9(5)8/h2-4,12H,1H3,(H,13,14)
InChIKeyKIJUQMAKEAFWSW-UHFFFAOYSA-N
XLogP2.83
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-7-methyl-1H-indole-3-carboxylic acid
CID 130048536
methyl 3-(4-chloro-7-methyl-1H-indol-3-yl)-3-oxopropanoate
CID 82667196
1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
CID 154727190
5-chloro-8-methyl-1H-quinazoline-2,4-dione
CID 114588951
2-(4,7-dimethyl-1H-indol-3-yl)acetic acid
CID 22751
3-acetyl-4,7-dimethyl-1H-indole-5-carboxylic acid
CID 83947065
methyl 4-bromo-7-methyl-1H-indole-3-carboxylate
CID 130049659
7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
CID 130140372
3-chloro-4-iodo-7-methyl-1H-indole
CID 130052075
5-chloro-8-methylnaphthalene-1-carboxylic acid
CID 121008568
8-bromo-7-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 103481174
1-(4-chloro-7-methyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 96594111

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 4-chloro-7-methyl-1H-indole-3-carboxylic acid (CID 131457272) is 4-chloro-7-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-7-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 4-chloro-7-methyl-1H-indole-3-carboxylic acid is Cc1ccc(Cl)c2c(C(=O)O)c[nH]c12.
What is the InChIKey of 4-chloro-7-methyl-1H-indole-3-carboxylic acid?
The InChIKey is KIJUQMAKEAFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-5-2-3-7(11)8-6(10(13)14)4-12-9(5)8/h2-4,12H,1H3,(H,13,14).
What are the key properties of 4-chloro-7-methyl-1H-indole-3-carboxylic acid?
4-chloro-7-methyl-1H-indole-3-carboxylic acid has a molecular weight of 209.63 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 131457272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).