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

C12H12Cl2N2 — CID 6603434

IUPAC1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H11ClN2.ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;/h1-8,14H,9H2;1H
InChIKeyVBARHINLMHUAAX-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.09
Rot. Bonds2

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

1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride (PubChem CID 6603434) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride
PubChem CID6603434
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H11ClN2.ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;/h1-8,14H,9H2;1H
InChIKeyVBARHINLMHUAAX-UHFFFAOYSA-N
XLogP3.09
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride (CID 6603434) is 1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride is Cl.[H]N=c1ccn(Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The InChIKey is VBARHINLMHUAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2.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-chlorophenyl)methyl]pyridin-4-imine;hydrochloride?
1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride has a molecular weight of 255.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]pyridin-4-imine;hydrochloride is sourced from PubChem (CID 6603434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).