1-[(3-fluorophenyl)methyl]pyridin-4-imine

C12H11FN2 — CID 911166

IUPAC1-[(3-fluorophenyl)methyl]pyridin-4-imine
SMILES[H]N=c1ccn(Cc2cccc(F)c2)cc1
InChIInChI=1S/C12H11FN2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15/h1-8,14H,9H2
InChIKeyGTWSEKJNOZVTMF-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.15
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]pyridin-4-imine

1-[(3-fluorophenyl)methyl]pyridin-4-imine (PubChem CID 911166) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]pyridin-4-imine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]pyridin-4-imine
PubChem CID911166
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name1-[(3-fluorophenyl)methyl]pyridin-4-imine
SMILES[H]N=c1ccn(Cc2cccc(F)c2)cc1
InChIInChI=1S/C12H11FN2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15/h1-8,14H,9H2
InChIKeyGTWSEKJNOZVTMF-UHFFFAOYSA-N
XLogP2.15
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]pyridin-4-imine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]pyridin-4-imine (CID 911166) is 1-[(3-fluorophenyl)methyl]pyridin-4-imine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]pyridin-4-imine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]pyridin-4-imine is [H]N=c1ccn(Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]pyridin-4-imine?
The InChIKey is GTWSEKJNOZVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15/h1-8,14H,9H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]pyridin-4-imine?
1-[(3-fluorophenyl)methyl]pyridin-4-imine has a molecular weight of 202.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]pyridin-4-imine is sourced from PubChem (CID 911166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).