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

C9H6ClNO3 — CID 90239236

IUPAC4-chloro-7-hydroxy-1H-indole-5-carboxylic acid
SMILESO=C(O)c1cc(O)c2[nH]ccc2c1Cl
InChIInChI=1S/C9H6ClNO3/c10-7-4-1-2-11-8(4)6(12)3-5(7)9(13)14/h1-3,11-12H,(H,13,14)
InChIKeyMARMYMSAZXEFNO-UHFFFAOYSA-N
MW211.60 g/mol
LogP2.23
Rot. Bonds1

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

4-chloro-7-hydroxy-1H-indole-5-carboxylic acid (PubChem CID 90239236) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-7-hydroxy-1H-indole-5-carboxylic acid
PubChem CID90239236
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name4-chloro-7-hydroxy-1H-indole-5-carboxylic acid
SMILESO=C(O)c1cc(O)c2[nH]ccc2c1Cl
InChIInChI=1S/C9H6ClNO3/c10-7-4-1-2-11-8(4)6(12)3-5(7)9(13)14/h1-3,11-12H,(H,13,14)
InChIKeyMARMYMSAZXEFNO-UHFFFAOYSA-N
XLogP2.23
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-7-methoxy-1H-indole-5-carboxylic acid
CID 90219714
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-(2-methoxypropan-2-yl)-1H-indole-5-carboxylic acid
CID 90239486
4-chloro-7-methoxy-1H-indole-5-carboxylic acid;methyl 4-chloro-7-methyl-1H-indole-5-carboxylate
CID 159871655
4-chloro-7-ethyl-1H-indole-5-carboxylic acid;methyl 4-chloro-7-methyl-1H-indole-5-carboxylate
CID 157445689
2-chloro-5-fluoro-3-hydroxybenzoic acid
CID 131954804
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330
CID 172784976
CID 172784976
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-chloro-2-fluoro-4-hydroxybenzoic acid
CID 11735652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid?
The IUPAC name of 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid (CID 90239236) is 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid?
The canonical SMILES for 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid is O=C(O)c1cc(O)c2[nH]ccc2c1Cl.
What is the InChIKey of 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid?
The InChIKey is MARMYMSAZXEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c10-7-4-1-2-11-8(4)6(12)3-5(7)9(13)14/h1-3,11-12H,(H,13,14).
What are the key properties of 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid?
4-chloro-7-hydroxy-1H-indole-5-carboxylic acid has a molecular weight of 211.60 g/mol, XLogP of 2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-hydroxy-1H-indole-5-carboxylic acid is sourced from PubChem (CID 90239236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).