5-chloro-N-methyl-3-phenylpyridin-2-amine

C12H11ClN2 — CID 71419403

IUPAC5-chloro-N-methyl-3-phenylpyridin-2-amine
SMILESCNc1ncc(Cl)cc1-c1ccccc1
InChIInChI=1S/C12H11ClN2/c1-14-12-11(7-10(13)8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyMBZDZQALVBJRJG-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.44
Rot. Bonds2

About 5-chloro-N-methyl-3-phenylpyridin-2-amine

5-chloro-N-methyl-3-phenylpyridin-2-amine (PubChem CID 71419403) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 5-chloro-N-methyl-3-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-3-phenylpyridin-2-amine
PubChem CID71419403
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name5-chloro-N-methyl-3-phenylpyridin-2-amine
SMILESCNc1ncc(Cl)cc1-c1ccccc1
InChIInChI=1S/C12H11ClN2/c1-14-12-11(7-10(13)8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyMBZDZQALVBJRJG-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-3-phenylpyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-3-phenylpyridin-2-amine (CID 71419403) is 5-chloro-N-methyl-3-phenylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-3-phenylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-3-phenylpyridin-2-amine is CNc1ncc(Cl)cc1-c1ccccc1.
What is the InChIKey of 5-chloro-N-methyl-3-phenylpyridin-2-amine?
The InChIKey is MBZDZQALVBJRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-14-12-11(7-10(13)8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15).
What are the key properties of 5-chloro-N-methyl-3-phenylpyridin-2-amine?
5-chloro-N-methyl-3-phenylpyridin-2-amine has a molecular weight of 218.69 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-3-phenylpyridin-2-amine is sourced from PubChem (CID 71419403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).