2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine

C12H11ClN2 — CID 175089483

IUPAC2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine
SMILESCc1ccc(-c2ccncc2C)c(Cl)n1
InChIInChI=1S/C12H11ClN2/c1-8-7-14-6-5-10(8)11-4-3-9(2)15-12(11)13/h3-7H,1-2H3
InChIKeyVZHRXURXIPRGLJ-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.41
Rot. Bonds1

About 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine

2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine (PubChem CID 175089483) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine
PubChem CID175089483
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine
SMILESCc1ccc(-c2ccncc2C)c(Cl)n1
InChIInChI=1S/C12H11ClN2/c1-8-7-14-6-5-10(8)11-4-3-9(2)15-12(11)13/h3-7H,1-2H3
InChIKeyVZHRXURXIPRGLJ-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine?
The IUPAC name of 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine (CID 175089483) is 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine.
What is the SMILES notation for 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine?
The canonical SMILES for 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine is Cc1ccc(-c2ccncc2C)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine?
The InChIKey is VZHRXURXIPRGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-8-7-14-6-5-10(8)11-4-3-9(2)15-12(11)13/h3-7H,1-2H3.
What are the key properties of 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine?
2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine has a molecular weight of 218.69 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine is sourced from PubChem (CID 175089483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).