1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride

C12H11Cl3N2 — CID 16682166

IUPAC1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2.ClH/c13-11-2-1-3-12(14)10(11)8-16-6-4-9(15)5-7-16;/h1-7,15H,8H2;1H
InChIKeyTXVPASZYWDUNSM-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.74
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride

1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride (PubChem CID 16682166) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride
PubChem CID16682166
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2.ClH/c13-11-2-1-3-12(14)10(11)8-16-6-4-9(15)5-7-16;/h1-7,15H,8H2;1H
InChIKeyTXVPASZYWDUNSM-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride (CID 16682166) is 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride is Cl.[H]N=c1ccn(Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride?
The InChIKey is TXVPASZYWDUNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.ClH/c13-11-2-1-3-12(14)10(11)8-16-6-4-9(15)5-7-16;/h1-7,15H,8H2;1H.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride?
1-[(2,6-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-[(2,6-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride is sourced from PubChem (CID 16682166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).