5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane

C26H32Cl2N4 — CID 158161017

IUPAC5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane
SMILESC.C.C.Cc1cc(-c2ccc(Cl)cc2)cnc1N.Nc1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H11ClN2.C11H9ClN2.3CH4/c1-8-6-10(7-15-12(8)14)9-2-4-11(13)5-3-9;12-10-4-1-8(2-5-10)9-3-6-11(13)14-7-9;;;/h2-7H,1H3,(H2,14,15);1-7H,(H2,13,14);3*1H4
InChIKeyFWGSGLYJVLVJOH-UHFFFAOYSA-N
MW471.48 g/mol
LogP8.19
Rot. Bonds2

About 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane

5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane (PubChem CID 158161017) has the molecular formula C26H32Cl2N4 and a molecular weight of 471.48 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane
PubChem CID158161017
Molecular FormulaC26H32Cl2N4
Molecular Weight471.48 g/mol
Exact Mass470.20
IUPAC Name5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane
SMILESC.C.C.Cc1cc(-c2ccc(Cl)cc2)cnc1N.Nc1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H11ClN2.C11H9ClN2.3CH4/c1-8-6-10(7-15-12(8)14)9-2-4-11(13)5-3-9;12-10-4-1-8(2-5-10)9-3-6-11(13)14-7-9;;;/h2-7H,1H3,(H2,14,15);1-7H,(H2,13,14);3*1H4
InChIKeyFWGSGLYJVLVJOH-UHFFFAOYSA-N
XLogP8.19
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane?
The IUPAC name of 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane (CID 158161017) is 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane?
The canonical SMILES for 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane is C.C.C.Cc1cc(-c2ccc(Cl)cc2)cnc1N.Nc1ccc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane?
The InChIKey is FWGSGLYJVLVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2.C11H9ClN2.3CH4/c1-8-6-10(7-15-12(8)14)9-2-4-11(13)5-3-9;12-10-4-1-8(2-5-10)9-3-6-11(13)14-7-9;;;/h2-7H,1H3,(H2,14,15);1-7H,(H2,13,14);3*1H4.
What are the key properties of 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane?
5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane has a molecular weight of 471.48 g/mol, XLogP of 8.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methylpyridin-2-amine;5-(4-chlorophenyl)pyridin-2-amine;methane is sourced from PubChem (CID 158161017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).