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

C₁₂H₇ClN₂O₅ — CID 21072403

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 Name: 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid
• PubChem CID: 21072403
• Molecular Formula: C₁₂H₇ClN₂O₅
• Molecular Weight: 294.65 g/mol
• Exact Mass: 294.00
• IUPAC Name: 5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cncc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1
• InChI: 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)
• InChIKey: ZJNUQVSSGXNKQQ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 113.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.65
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 21072403 — identifiers, structure, computed properties (public domain)

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