1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride

C12H12ClFN2 — CID 16682137

IUPAC1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C12H11FN2.ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;/h1-8,14H,9H2;1H
InChIKeyZDOTZXBJXHQVAJ-UHFFFAOYSA-N
MW238.69 g/mol
LogP2.58
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride (PubChem CID 16682137) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride
PubChem CID16682137
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C12H11FN2.ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;/h1-8,14H,9H2;1H
InChIKeyZDOTZXBJXHQVAJ-UHFFFAOYSA-N
XLogP2.58
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride (CID 16682137) is 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride is Cl.[H]N=c1ccn(Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride?
The InChIKey is ZDOTZXBJXHQVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2.ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;/h1-8,14H,9H2;1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride?
1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride has a molecular weight of 238.69 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]pyridin-4-imine;hydrochloride is sourced from PubChem (CID 16682137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).