[4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine

C18H14Cl2N2 — CID 134228110

IUPAC[4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14Cl2N2/c19-14-5-1-12(2-6-14)17-9-16(10-21)22-11-18(17)13-3-7-15(20)8-4-13/h1-9,11H,10,21H2
InChIKeyVLXSRCVLNCSYPJ-UHFFFAOYSA-N
MW329.23 g/mol
LogP5.18
Rot. Bonds3

About [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine

[4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine (PubChem CID 134228110) has the molecular formula C18H14Cl2N2 and a molecular weight of 329.23 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine
PubChem CID134228110
Molecular FormulaC18H14Cl2N2
Molecular Weight329.23 g/mol
Exact Mass328.05
IUPAC Name[4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14Cl2N2/c19-14-5-1-12(2-6-14)17-9-16(10-21)22-11-18(17)13-3-7-15(20)8-4-13/h1-9,11H,10,21H2
InChIKeyVLXSRCVLNCSYPJ-UHFFFAOYSA-N
XLogP5.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.23
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine?
The IUPAC name of [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine (CID 134228110) is [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine is NCc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine?
The InChIKey is VLXSRCVLNCSYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2/c19-14-5-1-12(2-6-14)17-9-16(10-21)22-11-18(17)13-3-7-15(20)8-4-13/h1-9,11H,10,21H2.
What are the key properties of [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine?
[4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine has a molecular weight of 329.23 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 134228110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).