4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine

C17H13ClF2N4O — CID 171547918

IUPAC4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2c(F)cccc2F)nnc1-c1c(Cl)ccnc1OC1CC1
InChIInChI=1S/C17H13ClF2N4O/c1-24-15(13-10(18)7-8-21-17(13)25-9-5-6-9)22-23-16(24)14-11(19)3-2-4-12(14)20/h2-4,7-9H,5-6H2,1H3
InChIKeyAGRXMFHGAOLINW-UHFFFAOYSA-N
MW362.77 g/mol
LogP4.02
Rot. Bonds4

About 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine

4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 171547918) has the molecular formula C17H13ClF2N4O and a molecular weight of 362.77 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID171547918
Molecular FormulaC17H13ClF2N4O
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2c(F)cccc2F)nnc1-c1c(Cl)ccnc1OC1CC1
InChIInChI=1S/C17H13ClF2N4O/c1-24-15(13-10(18)7-8-21-17(13)25-9-5-6-9)22-23-16(24)14-11(19)3-2-4-12(14)20/h2-4,7-9H,5-6H2,1H3
InChIKeyAGRXMFHGAOLINW-UHFFFAOYSA-N
XLogP4.02
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine (CID 171547918) is 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine is Cn1c(-c2c(F)cccc2F)nnc1-c1c(Cl)ccnc1OC1CC1.
What is the InChIKey of 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is AGRXMFHGAOLINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O/c1-24-15(13-10(18)7-8-21-17(13)25-9-5-6-9)22-23-16(24)14-11(19)3-2-4-12(14)20/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 362.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyloxy-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 171547918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).