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

C12H10Cl2N2 — CID 911232

IUPAC1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine
SMILES[H]N=c1ccn(Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-6-4-9(15)5-7-16/h1-7,15H,8H2
InChIKeyHGQLWRCILKLOMM-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.32
Rot. Bonds2

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

1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine (PubChem CID 911232) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine
PubChem CID911232
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine
SMILES[H]N=c1ccn(Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-6-4-9(15)5-7-16/h1-7,15H,8H2
InChIKeyHGQLWRCILKLOMM-UHFFFAOYSA-N
XLogP3.32
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.32
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?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine (CID 911232) is 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine is [H]N=c1ccn(Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine?
The InChIKey is HGQLWRCILKLOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-6-4-9(15)5-7-16/h1-7,15H,8H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine?
1-[(2,6-dichlorophenyl)methyl]pyridin-4-imine has a molecular weight of 253.13 g/mol, XLogP of 3.32, 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 is sourced from PubChem (CID 911232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).