6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid

C12H7Cl2N3O4 — CID 114403546

IUPAC6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H7Cl2N3O4/c13-6-2-1-3-7(10(6)14)15-11-9(17(20)21)5-4-8(16-11)12(18)19/h1-5H,(H,15,16)(H,18,19)
InChIKeyZKCJDEVNMNLGFY-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.74
Rot. Bonds4

About 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid

6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid (PubChem CID 114403546) has the molecular formula C12H7Cl2N3O4 and a molecular weight of 328.11 g/mol. Its IUPAC name is 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid
PubChem CID114403546
Molecular FormulaC12H7Cl2N3O4
Molecular Weight328.11 g/mol
Exact Mass326.98
IUPAC Name6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H7Cl2N3O4/c13-6-2-1-3-7(10(6)14)15-11-9(17(20)21)5-4-8(16-11)12(18)19/h1-5H,(H,15,16)(H,18,19)
InChIKeyZKCJDEVNMNLGFY-UHFFFAOYSA-N
XLogP3.74
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.74
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

6-(2-chloro-6-methylanilino)-5-nitropyridine-2-carboxylic acid
CID 114404275
6-(2-iodoanilino)-5-nitropyridine-2-carboxylic acid
CID 114403569
N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916589
6-(4-chloro-3-fluoroanilino)-5-nitropyridine-2-carboxylic acid
CID 114403831
6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
6-(4-ethylanilino)-5-nitropyridine-2-carboxylic acid
CID 114403497
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
6-(2,3-dichloroanilino)pyrazine-2-carboxylic acid
CID 66458555
5-nitro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylic acid
CID 114403855
6-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
5-nitro-6-(octylamino)pyridine-2-carboxylic acid
CID 114404374
6-(5-methylhexan-2-ylamino)-5-nitropyridine-2-carboxylic acid
CID 114404154

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid (CID 114403546) is 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid?
The InChIKey is ZKCJDEVNMNLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O4/c13-6-2-1-3-7(10(6)14)15-11-9(17(20)21)5-4-8(16-11)12(18)19/h1-5H,(H,15,16)(H,18,19).
What are the key properties of 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid?
6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid has a molecular weight of 328.11 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichloroanilino)-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114403546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).