2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid

C12H7ClN2O4 — CID 53223280

IUPAC2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)ncc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H7ClN2O4/c13-11-5-9(12(16)17)10(6-14-11)7-2-1-3-8(4-7)15(18)19/h1-6H,(H,16,17)
InChIKeySEIHMUCRGUYLNI-UHFFFAOYSA-N
MW278.65 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid

2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid (PubChem CID 53223280) has the molecular formula C12H7ClN2O4 and a molecular weight of 278.65 g/mol. Its IUPAC name is 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid
PubChem CID53223280
Molecular FormulaC12H7ClN2O4
Molecular Weight278.65 g/mol
Exact Mass278.01
IUPAC Name2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)ncc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H7ClN2O4/c13-11-5-9(12(16)17)10(6-14-11)7-2-1-3-8(4-7)15(18)19/h1-6H,(H,16,17)
InChIKeySEIHMUCRGUYLNI-UHFFFAOYSA-N
XLogP3.01
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.65
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3-chlorophenyl)pyridine-4-carboxylic acid
CID 53223009
4-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 19900994
5-methyl-2-(3-nitrophenyl)benzoic acid
CID 53226333
2-chloro-5-(4-methylphenyl)pyridine-4-carboxylic acid
CID 53222532
5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
CID 53223834
2-nitro-4-(3-nitrophenyl)benzoic acid
CID 53226350
5-(4-carboxy-6-chloro-3-pyridinyl)benzene-1,3-dicarboxylic acid
CID 53224362
2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 53223063
2-(4-chlorophenyl)-5-nitrobenzoic acid
CID 68803337
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
4-(5-nitro-2-phenylphenyl)phthalic acid
CID 175116891
5-acetyl-2-(3-nitrophenyl)pyrimidine-4-carboxylic acid
CID 82170334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid (CID 53223280) is 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)ncc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid?
The InChIKey is SEIHMUCRGUYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O4/c13-11-5-9(12(16)17)10(6-14-11)7-2-1-3-8(4-7)15(18)19/h1-6H,(H,16,17).
What are the key properties of 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid?
2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid has a molecular weight of 278.65 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53223280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).