2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide

C12H6Cl2FN3O3 — CID 106994147

IUPAC2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H6Cl2FN3O3/c13-10-4-2-7(11(14)17-10)12(19)16-8-5-6(15)1-3-9(8)18(20)21/h1-5H,(H,16,19)
InChIKeyREUJWQMLLRJERE-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.69
Rot. Bonds3

About 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide

2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 106994147) has the molecular formula C12H6Cl2FN3O3 and a molecular weight of 330.10 g/mol. Its IUPAC name is 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID106994147
Molecular FormulaC12H6Cl2FN3O3
Molecular Weight330.10 g/mol
Exact Mass328.98
IUPAC Name2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H6Cl2FN3O3/c13-10-4-2-7(11(14)17-10)12(19)16-8-5-6(15)1-3-9(8)18(20)21/h1-5H,(H,16,19)
InChIKeyREUJWQMLLRJERE-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

N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 107301433
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
CID 110461612
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide
CID 107962304
2-amino-4-fluoro-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912695
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide (CID 106994147) is 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is REUJWQMLLRJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN3O3/c13-10-4-2-7(11(14)17-10)12(19)16-8-5-6(15)1-3-9(8)18(20)21/h1-5H,(H,16,19).
What are the key properties of 2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide?
2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-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-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 106994147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).