1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride

C12H11Cl3N2 — CID 6603241

IUPAC1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C12H10Cl2N2.ClH/c13-11-2-1-9(7-12(11)14)8-16-5-3-10(15)4-6-16;/h1-7,15H,8H2;1H
InChIKeyHIGHTACAWSAMOL-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.74
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride

1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride (PubChem CID 6603241) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride
PubChem CID6603241
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C12H10Cl2N2.ClH/c13-11-2-1-9(7-12(11)14)8-16-5-3-10(15)4-6-16;/h1-7,15H,8H2;1H
InChIKeyHIGHTACAWSAMOL-UHFFFAOYSA-N
XLogP3.74
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride (CID 6603241) is 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride is Cl.[H]N=c1ccn(Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The InChIKey is HIGHTACAWSAMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.ClH/c13-11-2-1-9(7-12(11)14)8-16-5-3-10(15)4-6-16;/h1-7,15H,8H2;1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride?
1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride has a molecular weight of 289.59 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride is sourced from PubChem (CID 6603241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).