2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol

C14H15FN2O — CID 142163104

IUPAC2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol
SMILESCO.[H]/N=C(/Cc1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C13H11FN2.CH4O/c14-12-3-1-10(2-4-12)9-13(15)11-5-7-16-8-6-11;1-2/h1-8,15H,9H2;2H,1H3/b15-13-;
InChIKeyCLSFVZVUHYQEFP-ZDCVYKBASA-N
MW246.29 g/mol
LogP2.44
Rot. Bonds3

About 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol

2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol (PubChem CID 142163104) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol
PubChem CID142163104
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol
SMILESCO.[H]/N=C(/Cc1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C13H11FN2.CH4O/c14-12-3-1-10(2-4-12)9-13(15)11-5-7-16-8-6-11;1-2/h1-8,15H,9H2;2H,1H3/b15-13-;
InChIKeyCLSFVZVUHYQEFP-ZDCVYKBASA-N
XLogP2.44
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol?
The IUPAC name of 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol (CID 142163104) is 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol?
The canonical SMILES for 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol is CO.[H]/N=C(/Cc1ccc(F)cc1)c1ccncc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol?
The InChIKey is CLSFVZVUHYQEFP-ZDCVYKBASA-N. The full InChI is InChI=1S/C13H11FN2.CH4O/c14-12-3-1-10(2-4-12)9-13(15)11-5-7-16-8-6-11;1-2/h1-8,15H,9H2;2H,1H3/b15-13-;.
What are the key properties of 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol?
2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol has a molecular weight of 246.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol is sourced from PubChem (CID 142163104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).