7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C18H11ClF2N4O — CID 90096214

IUPAC7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cnc(-c2cc(Cl)c(F)cc2F)c(-c2ccn3ncnc3c2)c1
InChIInChI=1S/C18H11ClF2N4O/c1-26-11-5-12(10-2-3-25-17(4-10)23-9-24-25)18(22-8-11)13-6-14(19)16(21)7-15(13)20/h2-9H,1H3
InChIKeyGKIGYATUGWASIC-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.40
Rot. Bonds3

About 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90096214) has the molecular formula C18H11ClF2N4O and a molecular weight of 372.76 g/mol. Its IUPAC name is 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90096214
Molecular FormulaC18H11ClF2N4O
Molecular Weight372.76 g/mol
Exact Mass372.06
IUPAC Name7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cnc(-c2cc(Cl)c(F)cc2F)c(-c2ccn3ncnc3c2)c1
InChIInChI=1S/C18H11ClF2N4O/c1-26-11-5-12(10-2-3-25-17(4-10)23-9-24-25)18(22-8-11)13-6-14(19)16(21)7-15(13)20/h2-9H,1H3
InChIKeyGKIGYATUGWASIC-UHFFFAOYSA-N
XLogP4.40
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 90096214) is 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cnc(-c2cc(Cl)c(F)cc2F)c(-c2ccn3ncnc3c2)c1.
What is the InChIKey of 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GKIGYATUGWASIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4O/c1-26-11-5-12(10-2-3-25-17(4-10)23-9-24-25)18(22-8-11)13-6-14(19)16(21)7-15(13)20/h2-9H,1H3.
What are the key properties of 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 372.76 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-2,4-difluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90096214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).