4-chloro-7-methoxy-1H-indole-5-carboxylic acid

C10H8ClNO3 — CID 90219714

IUPAC4-chloro-7-methoxy-1H-indole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)c(Cl)c2cc[nH]c12
InChIInChI=1S/C10H8ClNO3/c1-15-7-4-6(10(13)14)8(11)5-2-3-12-9(5)7/h2-4,12H,1H3,(H,13,14)
InChIKeyYJMFLOKQHIYMPL-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.53
Rot. Bonds2

About 4-chloro-7-methoxy-1H-indole-5-carboxylic acid

4-chloro-7-methoxy-1H-indole-5-carboxylic acid (PubChem CID 90219714) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 4-chloro-7-methoxy-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-7-methoxy-1H-indole-5-carboxylic acid
PubChem CID90219714
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name4-chloro-7-methoxy-1H-indole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)c(Cl)c2cc[nH]c12
InChIInChI=1S/C10H8ClNO3/c1-15-7-4-6(10(13)14)8(11)5-2-3-12-9(5)7/h2-4,12H,1H3,(H,13,14)
InChIKeyYJMFLOKQHIYMPL-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-chloro-7-methoxy-1H-indole-5-carboxylic acid;methyl 4-chloro-7-methyl-1H-indole-5-carboxylate
CID 159871655
4-chloro-7-hydroxy-1H-indole-5-carboxylic acid
CID 90239236
4-chloro-7-(2-methoxypropan-2-yl)-1H-indole-5-carboxylic acid
CID 90239486
4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid
CID 90240146
4-chloro-7-(2-hydroxypropan-2-yl)-1H-indole-5-carboxylic acid
CID 90219687
4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
4-chloro-7-ethyl-1H-indole-5-carboxylic acid;methyl 4-chloro-7-methyl-1H-indole-5-carboxylate
CID 157445689
7-methoxy-1H-indole-5-carboxylic acid
CID 15247554
methyl 7-methoxy-1H-indole-4-carboxylate
CID 11020003
4-chloro-7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid;4,7-dimethyl-1H-indole-5-carbonitrile
CID 158270478
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342
5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532026

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-1H-indole-5-carboxylic acid?
The IUPAC name of 4-chloro-7-methoxy-1H-indole-5-carboxylic acid (CID 90219714) is 4-chloro-7-methoxy-1H-indole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-7-methoxy-1H-indole-5-carboxylic acid?
The canonical SMILES for 4-chloro-7-methoxy-1H-indole-5-carboxylic acid is COc1cc(C(=O)O)c(Cl)c2cc[nH]c12.
What is the InChIKey of 4-chloro-7-methoxy-1H-indole-5-carboxylic acid?
The InChIKey is YJMFLOKQHIYMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c1-15-7-4-6(10(13)14)8(11)5-2-3-12-9(5)7/h2-4,12H,1H3,(H,13,14).
What are the key properties of 4-chloro-7-methoxy-1H-indole-5-carboxylic acid?
4-chloro-7-methoxy-1H-indole-5-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-7-methoxy-1H-indole-5-carboxylic acid is sourced from PubChem (CID 90219714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).