4-chloro-6-methoxy-1H-indole-3-carboxylic acid

C10H8ClNO3 — CID 118644703

IUPAC4-chloro-6-methoxy-1H-indole-3-carboxylic acid
SMILESCOc1cc(Cl)c2c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C10H8ClNO3/c1-15-5-2-7(11)9-6(10(13)14)4-12-8(9)3-5/h2-4,12H,1H3,(H,13,14)
InChIKeyYHZGIRMZIOCNIG-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.53
Rot. Bonds2

About 4-chloro-6-methoxy-1H-indole-3-carboxylic acid

4-chloro-6-methoxy-1H-indole-3-carboxylic acid (PubChem CID 118644703) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 4-chloro-6-methoxy-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-methoxy-1H-indole-3-carboxylic acid
PubChem CID118644703
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name4-chloro-6-methoxy-1H-indole-3-carboxylic acid
SMILESCOc1cc(Cl)c2c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C10H8ClNO3/c1-15-5-2-7(11)9-6(10(13)14)4-12-8(9)3-5/h2-4,12H,1H3,(H,13,14)
InChIKeyYHZGIRMZIOCNIG-UHFFFAOYSA-N
XLogP2.53
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-6-chloro-1H-indole-3-carboxylic acid
CID 118644730
(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882290
methyl 3-(4,6-dimethoxy-1H-indol-3-yl)-3-oxopropanoate
CID 82667530
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid
CID 167741862
5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532026
(3,4,5-trimethoxyphenyl) 5,7-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 137470476
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206624
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-1H-indole-3-carboxylic acid?
The IUPAC name of 4-chloro-6-methoxy-1H-indole-3-carboxylic acid (CID 118644703) is 4-chloro-6-methoxy-1H-indole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-methoxy-1H-indole-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-methoxy-1H-indole-3-carboxylic acid is COc1cc(Cl)c2c(C(=O)O)c[nH]c2c1.
What is the InChIKey of 4-chloro-6-methoxy-1H-indole-3-carboxylic acid?
The InChIKey is YHZGIRMZIOCNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c1-15-5-2-7(11)9-6(10(13)14)4-12-8(9)3-5/h2-4,12H,1H3,(H,13,14).
What are the key properties of 4-chloro-6-methoxy-1H-indole-3-carboxylic acid?
4-chloro-6-methoxy-1H-indole-3-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-1H-indole-3-carboxylic acid is sourced from PubChem (CID 118644703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).