2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine

C15H12F2N4O — CID 50950919

IUPAC2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine
SMILESCOc1c(F)ccc(-c2nc(C)nn2-c2ccccn2)c1F
InChIInChI=1S/C15H12F2N4O/c1-9-19-15(21(20-9)12-5-3-4-8-18-12)10-6-7-11(16)14(22-2)13(10)17/h3-8H,1-2H3
InChIKeyLZUNFTZHBOPPGZ-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.92
Rot. Bonds3

About 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine

2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine (PubChem CID 50950919) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine
PubChem CID50950919
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine
SMILESCOc1c(F)ccc(-c2nc(C)nn2-c2ccccn2)c1F
InChIInChI=1S/C15H12F2N4O/c1-9-19-15(21(20-9)12-5-3-4-8-18-12)10-6-7-11(16)14(22-2)13(10)17/h3-8H,1-2H3
InChIKeyLZUNFTZHBOPPGZ-UHFFFAOYSA-N
XLogP2.92
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine
CID 79872887
2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
CID 15956844
8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
CID 121497811
4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline
CID 56879242
2-[3-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328998
2-(5-ethyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
CID 171716324
5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
CID 135966284
6-fluoro-7-methyl-1-pyridin-2-ylbenzimidazole
CID 141346129
2,3-dimethoxy-6-(1-pyridin-2-ylpyrazol-3-yl)phenol
CID 135429323
6-methoxy-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinolin-4-amine
CID 22320234
4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine
CID 74247116
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine (CID 50950919) is 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine is COc1c(F)ccc(-c2nc(C)nn2-c2ccccn2)c1F.
What is the InChIKey of 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine?
The InChIKey is LZUNFTZHBOPPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-9-19-15(21(20-9)12-5-3-4-8-18-12)10-6-7-11(16)14(22-2)13(10)17/h3-8H,1-2H3.
What are the key properties of 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine?
2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine has a molecular weight of 302.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50950919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).