2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine

C15H11ClF2N4O — CID 72912476

IUPAC2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine
SMILESFC(F)Oc1cccc(Cn2cc(-c3ccc(Cl)nc3)nn2)c1
InChIInChI=1S/C15H11ClF2N4O/c16-14-5-4-11(7-19-14)13-9-22(21-20-13)8-10-2-1-3-12(6-10)23-15(17)18/h1-7,9,15H,8H2
InChIKeyPQAVEBSXQGOWSW-UHFFFAOYSA-N
MW336.73 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine

2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine (PubChem CID 72912476) has the molecular formula C15H11ClF2N4O and a molecular weight of 336.73 g/mol. Its IUPAC name is 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine
PubChem CID72912476
Molecular FormulaC15H11ClF2N4O
Molecular Weight336.73 g/mol
Exact Mass336.06
IUPAC Name2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine
SMILESFC(F)Oc1cccc(Cn2cc(-c3ccc(Cl)nc3)nn2)c1
InChIInChI=1S/C15H11ClF2N4O/c16-14-5-4-11(7-19-14)13-9-22(21-20-13)8-10-2-1-3-12(6-10)23-15(17)18/h1-7,9,15H,8H2
InChIKeyPQAVEBSXQGOWSW-UHFFFAOYSA-N
XLogP3.64
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine?
The IUPAC name of 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine (CID 72912476) is 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine is FC(F)Oc1cccc(Cn2cc(-c3ccc(Cl)nc3)nn2)c1.
What is the InChIKey of 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine?
The InChIKey is PQAVEBSXQGOWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O/c16-14-5-4-11(7-19-14)13-9-22(21-20-13)8-10-2-1-3-12(6-10)23-15(17)18/h1-7,9,15H,8H2.
What are the key properties of 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine?
2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine has a molecular weight of 336.73 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-[[3-(difluoromethoxy)phenyl]methyl]triazol-4-yl]pyridine is sourced from PubChem (CID 72912476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).