6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine

C10H9ClF2N4 — CID 171619444

IUPAC6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine
SMILESCc1nc(Cl)ccc1-c1nc(C(F)F)n(C)n1
InChIInChI=1S/C10H9ClF2N4/c1-5-6(3-4-7(11)14-5)9-15-10(8(12)13)17(2)16-9/h3-4,8H,1-2H3
InChIKeyJLOUPCJLDLBLSM-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.78
Rot. Bonds2

About 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine

6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine (PubChem CID 171619444) has the molecular formula C10H9ClF2N4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine.

Molecular Properties

Compound Name6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine
PubChem CID171619444
Molecular FormulaC10H9ClF2N4
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine
SMILESCc1nc(Cl)ccc1-c1nc(C(F)F)n(C)n1
InChIInChI=1S/C10H9ClF2N4/c1-5-6(3-4-7(11)14-5)9-15-10(8(12)13)17(2)16-9/h3-4,8H,1-2H3
InChIKeyJLOUPCJLDLBLSM-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine?
The IUPAC name of 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine (CID 171619444) is 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine.
What is the SMILES notation for 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine?
The canonical SMILES for 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine is Cc1nc(Cl)ccc1-c1nc(C(F)F)n(C)n1.
What is the InChIKey of 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine?
The InChIKey is JLOUPCJLDLBLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N4/c1-5-6(3-4-7(11)14-5)9-15-10(8(12)13)17(2)16-9/h3-4,8H,1-2H3.
What are the key properties of 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine?
6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine has a molecular weight of 258.66 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-2-methylpyridine is sourced from PubChem (CID 171619444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).