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

C14H8Cl3N5O — CID 31402196

IUPAC3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3N5O/c15-8-1-3-11(22-7-18-6-19-22)10(5-8)20-14(23)13-9(16)2-4-12(17)21-13/h1-7H,(H,20,23)
InChIKeySMJOQVBACUCIRM-UHFFFAOYSA-N
MW368.61 g/mol
LogP3.87
Rot. Bonds3

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

3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 31402196) has the molecular formula C14H8Cl3N5O and a molecular weight of 368.61 g/mol. Its IUPAC name is 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID31402196
Molecular FormulaC14H8Cl3N5O
Molecular Weight368.61 g/mol
Exact Mass366.98
IUPAC Name3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3N5O/c15-8-1-3-11(22-7-18-6-19-22)10(5-8)20-14(23)13-9(16)2-4-12(17)21-13/h1-7H,(H,20,23)
InChIKeySMJOQVBACUCIRM-UHFFFAOYSA-N
XLogP3.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527286
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
CID 16549214
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,5-dinitrobenzamide
CID 55337238
4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527323
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 78808953
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 8862190
N-[5-bromo-2-(1,2,4-triazol-1-yl)phenyl]-5-chloropyrimidine-4-carboxamide
CID 167776851
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 33078369
2-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 62855749

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide (CID 31402196) is 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is SMJOQVBACUCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N5O/c15-8-1-3-11(22-7-18-6-19-22)10(5-8)20-14(23)13-9(16)2-4-12(17)21-13/h1-7H,(H,20,23).
What are the key properties of 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide?
3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 368.61 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 31402196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).