3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide

C12H7Cl2N3O3 — CID 60651008

IUPAC3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2N3O3/c13-7-5-6-10(14)16-11(7)12(18)15-8-3-1-2-4-9(8)17(19)20/h1-6H,(H,15,18)
InChIKeyAXRZYOKEVIWFGG-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.55
Rot. Bonds3

About 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide (PubChem CID 60651008) has the molecular formula C12H7Cl2N3O3 and a molecular weight of 312.11 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
PubChem CID60651008
Molecular FormulaC12H7Cl2N3O3
Molecular Weight312.11 g/mol
Exact Mass310.99
IUPAC Name3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2N3O3/c13-7-5-6-10(14)16-11(7)12(18)15-8-3-1-2-4-9(8)17(19)20/h1-6H,(H,15,18)
InChIKeyAXRZYOKEVIWFGG-UHFFFAOYSA-N
XLogP3.55
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.55
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

3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
CID 26727633
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
6-amino-3-chloro-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 62155906
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea
CID 9438160
1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19266528
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
(3,6-dichloro-2-pyridinyl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 26783004
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide (CID 60651008) is 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is AXRZYOKEVIWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O3/c13-7-5-6-10(14)16-11(7)12(18)15-8-3-1-2-4-9(8)17(19)20/h1-6H,(H,15,18).
What are the key properties of 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 312.11 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 60651008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).