5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid

C9H5ClN2O4 — CID 137058233

IUPAC5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid
SMILESO=Nc1c(O)[nH]c2c(C(=O)O)cc(Cl)cc12
InChIInChI=1S/C9H5ClN2O4/c10-3-1-4-6(5(2-3)9(14)15)11-8(13)7(4)12-16/h1-2,11,13H,(H,14,15)
InChIKeyIBJIXFREHVZDGJ-UHFFFAOYSA-N
MW240.60 g/mol
LogP2.62
Rot. Bonds2

About 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid

5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid (PubChem CID 137058233) has the molecular formula C9H5ClN2O4 and a molecular weight of 240.60 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid
PubChem CID137058233
Molecular FormulaC9H5ClN2O4
Molecular Weight240.60 g/mol
Exact Mass239.99
IUPAC Name5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid
SMILESO=Nc1c(O)[nH]c2c(C(=O)O)cc(Cl)cc12
InChIInChI=1S/C9H5ClN2O4/c10-3-1-4-6(5(2-3)9(14)15)11-8(13)7(4)12-16/h1-2,11,13H,(H,14,15)
InChIKeyIBJIXFREHVZDGJ-UHFFFAOYSA-N
XLogP2.62
TPSA102.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.60
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
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CID 135708292
8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
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5-bromo-7-nitro-3-nitroso-1H-indol-2-ol
CID 135546519
5,7-dichloro-3-nitroso-2H-isoindol-1-ol
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CID 135484535
5-chloro-2-fluoro-3-methylbenzoic acid
CID 79002360
(5,7-dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea;N,N-dimethylformamide
CID 135408641
2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one
CID 158570543
5-methyl-3-nitroso-1H-indol-2-ol
CID 583072
2,6-dichloro-1H-benzimidazole-4-carboxylic acid
CID 130870211
5-chloro-2,3-bis(hydroxymethyl)benzoic acid
CID 174496001

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid?
The IUPAC name of 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid (CID 137058233) is 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid.
What is the SMILES notation for 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid?
The canonical SMILES for 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid is O=Nc1c(O)[nH]c2c(C(=O)O)cc(Cl)cc12.
What is the InChIKey of 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid?
The InChIKey is IBJIXFREHVZDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O4/c10-3-1-4-6(5(2-3)9(14)15)11-8(13)7(4)12-16/h1-2,11,13H,(H,14,15).
What are the key properties of 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid?
5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid has a molecular weight of 240.60 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid is sourced from PubChem (CID 137058233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).