2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide

C12H6Cl2FN3O3 — CID 114918756

IUPAC2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H6Cl2FN3O3/c13-8-5-16-11(14)4-7(8)12(19)17-6-1-2-10(18(20)21)9(15)3-6/h1-5H,(H,17,19)
InChIKeyMNDNJLTZGHEDHE-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.69
Rot. Bonds3

About 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide

2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide (PubChem CID 114918756) has the molecular formula C12H6Cl2FN3O3 and a molecular weight of 330.10 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
PubChem CID114918756
Molecular FormulaC12H6Cl2FN3O3
Molecular Weight330.10 g/mol
Exact Mass328.98
IUPAC Name2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H6Cl2FN3O3/c13-8-5-16-11(14)4-7(8)12(19)17-6-1-2-10(18(20)21)9(15)3-6/h1-5H,(H,17,19)
InChIKeyMNDNJLTZGHEDHE-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

2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
CID 103734087
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
N-(3-fluoro-4-nitrophenyl)carbamothioyl chloride
CID 135378563
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide (CID 114918756) is 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is MNDNJLTZGHEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN3O3/c13-8-5-16-11(14)4-7(8)12(19)17-6-1-2-10(18(20)21)9(15)3-6/h1-5H,(H,17,19).
What are the key properties of 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide?
2,5-dichloro-N-(3-fluoro-4-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 2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).