3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide

C12H4Cl4F2N2O — CID 27906964

IUPAC3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl4F2N2O/c13-7-8(14)10(20-11(16)9(7)15)12(21)19-6-2-4(17)1-5(18)3-6/h1-3H,(H,19,21)
InChIKeyMPXCGIYMJVXNBP-UHFFFAOYSA-N
MW371.99 g/mol
LogP5.23
Rot. Bonds2

About 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide

3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide (PubChem CID 27906964) has the molecular formula C12H4Cl4F2N2O and a molecular weight of 371.99 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide
PubChem CID27906964
Molecular FormulaC12H4Cl4F2N2O
Molecular Weight371.99 g/mol
Exact Mass369.90
IUPAC Name3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl4F2N2O/c13-7-8(14)10(20-11(16)9(7)15)12(21)19-6-2-4(17)1-5(18)3-6/h1-3H,(H,19,21)
InChIKeyMPXCGIYMJVXNBP-UHFFFAOYSA-N
XLogP5.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.99
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 18281458
3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 26239940
3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 26086305
3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 26522722
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide
CID 18270916
3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 26719813
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
4-amino-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 55041778
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide (CID 27906964) is 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is MPXCGIYMJVXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4F2N2O/c13-7-8(14)10(20-11(16)9(7)15)12(21)19-6-2-4(17)1-5(18)3-6/h1-3H,(H,19,21).
What are the key properties of 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 371.99 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 27906964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).