2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide

C12H6ClF2N3O3 — CID 103733313

IUPAC2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1F)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClF2N3O3/c13-10-4-6(9(5-16-10)18(20)21)12(19)17-8-3-1-2-7(14)11(8)15/h1-5H,(H,17,19)
InChIKeyFYCNZTXUEWMPNK-UHFFFAOYSA-N
MW313.65 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide

2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide (PubChem CID 103733313) has the molecular formula C12H6ClF2N3O3 and a molecular weight of 313.65 g/mol. Its IUPAC name is 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide
PubChem CID103733313
Molecular FormulaC12H6ClF2N3O3
Molecular Weight313.65 g/mol
Exact Mass313.01
IUPAC Name2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1F)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClF2N3O3/c13-10-4-6(9(5-16-10)18(20)21)12(19)17-8-3-1-2-7(14)11(8)15/h1-5H,(H,17,19)
InChIKeyFYCNZTXUEWMPNK-UHFFFAOYSA-N
XLogP3.17
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.65
LogP ≤ 53.17
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-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
CID 103734087
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
2-chloro-N-(3-chloro-2-fluorophenyl)-5-nitropyridine-3-carboxamide
CID 103916955
2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
CID 103732229
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
CID 114089801
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide (CID 103733313) is 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide is O=C(Nc1cccc(F)c1F)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide?
The InChIKey is FYCNZTXUEWMPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3O3/c13-10-4-6(9(5-16-10)18(20)21)12(19)17-8-3-1-2-7(14)11(8)15/h1-5H,(H,17,19).
What are the key properties of 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide?
2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide has a molecular weight of 313.65 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103733313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).