5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine

C13H13ClN2 — CID 83171115

IUPAC5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine
SMILESCc1ccc(-c2cnc(N)c(C)c2)cc1Cl
InChIInChI=1S/C13H13ClN2/c1-8-3-4-10(6-12(8)14)11-5-9(2)13(15)16-7-11/h3-7H,1-2H3,(H2,15,16)
InChIKeyIXXMQQQSTQXFRY-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.60
Rot. Bonds1

About 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine

5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine (PubChem CID 83171115) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine
PubChem CID83171115
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine
SMILESCc1ccc(-c2cnc(N)c(C)c2)cc1Cl
InChIInChI=1S/C13H13ClN2/c1-8-3-4-10(6-12(8)14)11-5-9(2)13(15)16-7-11/h3-7H,1-2H3,(H2,15,16)
InChIKeyIXXMQQQSTQXFRY-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine (CID 83171115) is 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine is Cc1ccc(-c2cnc(N)c(C)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine?
The InChIKey is IXXMQQQSTQXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-8-3-4-10(6-12(8)14)11-5-9(2)13(15)16-7-11/h3-7H,1-2H3,(H2,15,16).
What are the key properties of 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine?
5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine has a molecular weight of 232.71 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 83171115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).