5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid

C12H7ClN2O5 — CID 21072403

IUPAC5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C12H7ClN2O5/c13-8-2-9(11(16)10(3-8)15(19)20)6-1-7(12(17)18)5-14-4-6/h1-5,16H,(H,17,18)
InChIKeyZJNUQVSSGXNKQQ-UHFFFAOYSA-N
MW294.65 g/mol
LogP2.71
Rot. Bonds3

About 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid

5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid (PubChem CID 21072403) has the molecular formula C12H7ClN2O5 and a molecular weight of 294.65 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid
PubChem CID21072403
Molecular FormulaC12H7ClN2O5
Molecular Weight294.65 g/mol
Exact Mass294.00
IUPAC Name5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C12H7ClN2O5/c13-8-2-9(11(16)10(3-8)15(19)20)6-1-7(12(17)18)5-14-4-6/h1-5,16H,(H,17,18)
InChIKeyZJNUQVSSGXNKQQ-UHFFFAOYSA-N
XLogP2.71
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide
CID 21072446
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492
4-(5-methyl-3-pyridinyl)-3-nitrobenzoic acid
CID 113326125
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
5-chloro-3-nitro-2-(trifluoromethylsulfonyloxy)benzoic acid
CID 23033925
5-(2-cyanophenyl)pyridine-3-carboxylic acid
CID 50999377
5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 115556226
5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
CID 79743488
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 103080470

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid (CID 21072403) is 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1.
What is the InChIKey of 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid?
The InChIKey is ZJNUQVSSGXNKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O5/c13-8-2-9(11(16)10(3-8)15(19)20)6-1-7(12(17)18)5-14-4-6/h1-5,16H,(H,17,18).
What are the key properties of 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid?
5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid has a molecular weight of 294.65 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 21072403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).