2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide

C14H8Cl3N5O — CID 78878372

IUPAC2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H8Cl3N5O/c15-9-4-2-1-3-8(9)12-19-14(22-21-12)20-13(23)7-5-10(16)18-11(17)6-7/h1-6H,(H2,19,20,21,22,23)
InChIKeyHJERQABKSOABPR-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.08
Rot. Bonds3

About 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide

2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide (PubChem CID 78878372) has the molecular formula C14H8Cl3N5O and a molecular weight of 368.61 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
PubChem CID78878372
Molecular FormulaC14H8Cl3N5O
Molecular Weight368.61 g/mol
Exact Mass366.98
IUPAC Name2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H8Cl3N5O/c15-9-4-2-1-3-8(9)12-19-14(22-21-12)20-13(23)7-5-10(16)18-11(17)6-7/h1-6H,(H2,19,20,21,22,23)
InChIKeyHJERQABKSOABPR-UHFFFAOYSA-N
XLogP4.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonylmethyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 60514504
4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide
CID 60514755
6-(azepan-1-yl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 112827279
5-bromo-N-[3-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 60514549
1-(4-bromophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
CID 60514600
2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide
CID 78878389
(3S)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide
CID 95176892
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 17410284
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 126771462
N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methylbenzamide
CID 9245913
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 60571186
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide (CID 78878372) is 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide is O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The InChIKey is HJERQABKSOABPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N5O/c15-9-4-2-1-3-8(9)12-19-14(22-21-12)20-13(23)7-5-10(16)18-11(17)6-7/h1-6H,(H2,19,20,21,22,23).
What are the key properties of 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide has a molecular weight of 368.61 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 78878372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).