5,6-bis(4-chlorophenyl)pyridin-3-amine

C17H12Cl2N2 — CID 174766638

IUPAC5,6-bis(4-chlorophenyl)pyridin-3-amine
SMILESNc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H12Cl2N2/c18-13-5-1-11(2-6-13)16-9-15(20)10-21-17(16)12-3-7-14(19)8-4-12/h1-10H,20H2
InChIKeyLCEMKDCJYFUEAV-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.30
Rot. Bonds2

About 5,6-bis(4-chlorophenyl)pyridin-3-amine

5,6-bis(4-chlorophenyl)pyridin-3-amine (PubChem CID 174766638) has the molecular formula C17H12Cl2N2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)pyridin-3-amine
PubChem CID174766638
Molecular FormulaC17H12Cl2N2
Molecular Weight315.20 g/mol
Exact Mass314.04
IUPAC Name5,6-bis(4-chlorophenyl)pyridin-3-amine
SMILESNc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H12Cl2N2/c18-13-5-1-11(2-6-13)16-9-15(20)10-21-17(16)12-3-7-14(19)8-4-12/h1-10H,20H2
InChIKeyLCEMKDCJYFUEAV-UHFFFAOYSA-N
XLogP5.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)pyridin-3-amine?
The IUPAC name of 5,6-bis(4-chlorophenyl)pyridin-3-amine (CID 174766638) is 5,6-bis(4-chlorophenyl)pyridin-3-amine.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)pyridin-3-amine?
The canonical SMILES for 5,6-bis(4-chlorophenyl)pyridin-3-amine is Nc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)pyridin-3-amine?
The InChIKey is LCEMKDCJYFUEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2/c18-13-5-1-11(2-6-13)16-9-15(20)10-21-17(16)12-3-7-14(19)8-4-12/h1-10H,20H2.
What are the key properties of 5,6-bis(4-chlorophenyl)pyridin-3-amine?
5,6-bis(4-chlorophenyl)pyridin-3-amine has a molecular weight of 315.20 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)pyridin-3-amine is sourced from PubChem (CID 174766638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).