2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide

C12H6Cl2FN3O3 — CID 60651052

IUPAC2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H6Cl2FN3O3/c13-10-3-6(4-11(14)17-10)12(19)16-7-1-2-8(15)9(5-7)18(20)21/h1-5H,(H,16,19)
InChIKeyJBVUTIAXGCMJKA-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.69
Rot. Bonds3

About 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide

2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide (PubChem CID 60651052) has the molecular formula C12H6Cl2FN3O3 and a molecular weight of 330.10 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
PubChem CID60651052
Molecular FormulaC12H6Cl2FN3O3
Molecular Weight330.10 g/mol
Exact Mass328.98
IUPAC Name2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H6Cl2FN3O3/c13-10-3-6(4-11(14)17-10)12(19)16-7-1-2-8(15)9(5-7)18(20)21/h1-5H,(H,16,19)
InChIKeyJBVUTIAXGCMJKA-UHFFFAOYSA-N
XLogP3.69
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 53.69
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

3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2342714
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43346938
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
5-chloro-N-(4-fluoro-3-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625004
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide
CID 62153244
6-bromo-N-(4-fluoro-3-nitrophenyl)pyridine-2-carboxamide
CID 103874165
3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
CID 67040567
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide (CID 60651052) is 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is JBVUTIAXGCMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN3O3/c13-10-3-6(4-11(14)17-10)12(19)16-7-1-2-8(15)9(5-7)18(20)21/h1-5H,(H,16,19).
What are the key properties of 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide?
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 330.10 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 60651052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).