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

C17H13ClF2N4O2 — CID 171547893

IUPAC5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2cc(Cl)cnc2OC(F)F)nnc1-c1cccc2c1CCO2
InChIInChI=1S/C17H13ClF2N4O2/c1-24-14(11-3-2-4-13-10(11)5-6-25-13)22-23-15(24)12-7-9(18)8-21-16(12)26-17(19)20/h2-4,7-8,17H,5-6H2,1H3
InChIKeyXPAZXYAYDAPTCH-UHFFFAOYSA-N
MW378.77 g/mol
LogP3.73
Rot. Bonds4

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

5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 171547893) has the molecular formula C17H13ClF2N4O2 and a molecular weight of 378.77 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID171547893
Molecular FormulaC17H13ClF2N4O2
Molecular Weight378.77 g/mol
Exact Mass378.07
IUPAC Name5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2cc(Cl)cnc2OC(F)F)nnc1-c1cccc2c1CCO2
InChIInChI=1S/C17H13ClF2N4O2/c1-24-14(11-3-2-4-13-10(11)5-6-25-13)22-23-15(24)12-7-9(18)8-21-16(12)26-17(19)20/h2-4,7-8,17H,5-6H2,1H3
InChIKeyXPAZXYAYDAPTCH-UHFFFAOYSA-N
XLogP3.73
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine (CID 171547893) is 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine is Cn1c(-c2cc(Cl)cnc2OC(F)F)nnc1-c1cccc2c1CCO2.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is XPAZXYAYDAPTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O2/c1-24-14(11-3-2-4-13-10(11)5-6-25-13)22-23-15(24)12-7-9(18)8-21-16(12)26-17(19)20/h2-4,7-8,17H,5-6H2,1H3.
What are the key properties of 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 378.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 171547893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).