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

C13H5Cl4N3O — CID 26727984

IUPAC3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C13H5Cl4N3O/c14-8-9(15)11(20-12(17)10(8)16)13(21)19-7-3-1-2-6(4-7)5-18/h1-4H,(H,19,21)
InChIKeyNGPIBCSMKJWNMO-UHFFFAOYSA-N
MW361.02 g/mol
LogP4.82
Rot. Bonds2

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

3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 26727984) has the molecular formula C13H5Cl4N3O and a molecular weight of 361.02 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID26727984
Molecular FormulaC13H5Cl4N3O
Molecular Weight361.02 g/mol
Exact Mass358.92
IUPAC Name3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C13H5Cl4N3O/c14-8-9(15)11(20-12(17)10(8)16)13(21)19-7-3-1-2-6(4-7)5-18/h1-4H,(H,19,21)
InChIKeyNGPIBCSMKJWNMO-UHFFFAOYSA-N
XLogP4.82
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.02
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 62156588
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 46568178
3-chloro-N-(3-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62166201
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
3,4,5,6-tetrachloro-N-[4-(cyanomethyl)phenyl]pyridine-2-carboxamide
CID 60599154
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
2-N-(3-cyanophenyl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101113
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110684044

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 26727984) is 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide is N#Cc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is NGPIBCSMKJWNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl4N3O/c14-8-9(15)11(20-12(17)10(8)16)13(21)19-7-3-1-2-6(4-7)5-18/h1-4H,(H,19,21).
What are the key properties of 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 361.02 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26727984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).