6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide

C12H7Cl2N3O4 — CID 71323132

IUPAC6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)c([N+](=O)[O-])c1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl2N3O4/c13-6-1-3-7(4-2-6)21-10-8(12(15)18)5-16-11(14)9(10)17(19)20/h1-5H,(H2,15,18)
InChIKeyKKIKPOCSBOYQCO-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.19
Rot. Bonds4

About 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide

6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide (PubChem CID 71323132) has the molecular formula C12H7Cl2N3O4 and a molecular weight of 328.11 g/mol. Its IUPAC name is 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide
PubChem CID71323132
Molecular FormulaC12H7Cl2N3O4
Molecular Weight328.11 g/mol
Exact Mass326.98
IUPAC Name6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)c([N+](=O)[O-])c1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl2N3O4/c13-6-1-3-7(4-2-6)21-10-8(12(15)18)5-16-11(14)9(10)17(19)20/h1-5H,(H2,15,18)
InChIKeyKKIKPOCSBOYQCO-UHFFFAOYSA-N
XLogP3.19
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-chlorophenoxy)-3-nitrobenzamide
CID 141017778
4-(4-acetylphenoxy)-6-chloro-5-nitropyridine-3-carbonitrile
CID 71323118
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
6-chloro-4-(3,4-dimethylphenoxy)-5-nitropyridine-3-carbonitrile
CID 71323109
3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide
CID 87305236
4-(4-chlorophenoxy)quinoline-3-carboxylic acid
CID 61339884
3-(4-chlorophenoxy)-2-nitroaniline
CID 80864379
methyl 5-(4-chlorophenoxy)-3-methyl-2-nitrobenzoate
CID 178095964
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid
CID 115055193
4,6-dichloroquinoline-3-carboxamide
CID 19827987
4-chloro-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208536

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide (CID 71323132) is 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide is NC(=O)c1cnc(Cl)c([N+](=O)[O-])c1Oc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide?
The InChIKey is KKIKPOCSBOYQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O4/c13-6-1-3-7(4-2-6)21-10-8(12(15)18)5-16-11(14)9(10)17(19)20/h1-5H,(H2,15,18).
What are the key properties of 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide?
6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide has a molecular weight of 328.11 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 71323132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).