3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine

C15H13FN4O — CID 86297536

IUPAC3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine
SMILESCOc1ncc(Cn2cncn2)cc1-c1cccc(F)c1
InChIInChI=1S/C15H13FN4O/c1-21-15-14(12-3-2-4-13(16)6-12)5-11(7-18-15)8-20-10-17-9-19-20/h2-7,9-10H,8H2,1H3
InChIKeyHYGULAQNBJFHHR-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.54
Rot. Bonds4

About 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine

3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine (PubChem CID 86297536) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine
PubChem CID86297536
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine
SMILESCOc1ncc(Cn2cncn2)cc1-c1cccc(F)c1
InChIInChI=1S/C15H13FN4O/c1-21-15-14(12-3-2-4-13(16)6-12)5-11(7-18-15)8-20-10-17-9-19-20/h2-7,9-10H,8H2,1H3
InChIKeyHYGULAQNBJFHHR-UHFFFAOYSA-N
XLogP2.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine
CID 90416955
ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine
CID 144726608
3-(3-chlorophenyl)-2-methoxy-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyridine
CID 90415803
1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole
CID 23585516
1-[[4-methoxy-3-(3-methylsulfanylphenyl)phenyl]methyl]-1,2,4-triazole;1-[[4-methoxy-3-(3-methylsulfinylphenyl)phenyl]methyl]-1,2,4-triazole
CID 158519687
5-ethyl-3-(4-fluorophenyl)-2-methoxypyridine
CID 163866261
[6-(3-fluorophenyl)-5-methoxypyrazin-2-yl]methanamine
CID 83850538
N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673353
3-(3-fluorophenyl)-4,5-dimethoxypyridine
CID 174673027
1-[[5-(3-chlorophenyl)-6-(1-fluoroethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine
CID 163992119
4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenol
CID 23585512
[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
CID 67244915

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The IUPAC name of 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine (CID 86297536) is 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine is COc1ncc(Cn2cncn2)cc1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The InChIKey is HYGULAQNBJFHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-21-15-14(12-3-2-4-13(16)6-12)5-11(7-18-15)8-20-10-17-9-19-20/h2-7,9-10H,8H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine?
3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine has a molecular weight of 284.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine is sourced from PubChem (CID 86297536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).