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

C15H12F2N4O — CID 90416955

IUPAC3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine
SMILESCOc1ncc(Cn2cncn2)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N4O/c1-22-15-14(11-3-12(16)5-13(17)4-11)2-10(6-19-15)7-21-9-18-8-20-21/h2-6,8-9H,7H2,1H3
InChIKeyAPHGLZFERIOTRI-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.68
Rot. Bonds4

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

3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine (PubChem CID 90416955) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine
PubChem CID90416955
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine
SMILESCOc1ncc(Cn2cncn2)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N4O/c1-22-15-14(11-3-12(16)5-13(17)4-11)2-10(6-19-15)7-21-9-18-8-20-21/h2-6,8-9H,7H2,1H3
InChIKeyAPHGLZFERIOTRI-UHFFFAOYSA-N
XLogP2.68
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine
CID 86297536
ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine
CID 144726608
1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole
CID 23585516
1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
CID 23585776
5-fluoro-2-methoxy-3-pyridin-4-ylpyridine
CID 46315714
[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 65338671
3-(3-chlorophenyl)-2-methoxy-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyridine
CID 90415803
[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
CID 67244915
N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
CID 61224894
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
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

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The IUPAC name of 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine (CID 90416955) is 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine is COc1ncc(Cn2cncn2)cc1-c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The InChIKey is APHGLZFERIOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-22-15-14(11-3-12(16)5-13(17)4-11)2-10(6-19-15)7-21-9-18-8-20-21/h2-6,8-9H,7H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine?
3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine has a molecular weight of 302.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-methoxy-5-(1,2,4-triazol-1-ylmethyl)pyridine is sourced from PubChem (CID 90416955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).