2-chloro-6-methyl-3-pyridin-4-ylpyridine

C11H9ClN2 — CID 46315353

IUPAC2-chloro-6-methyl-3-pyridin-4-ylpyridine
SMILESCc1ccc(-c2ccncc2)c(Cl)n1
InChIInChI=1S/C11H9ClN2/c1-8-2-3-10(11(12)14-8)9-4-6-13-7-5-9/h2-7H,1H3
InChIKeyOPYROMNJKKPXKD-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.11
Rot. Bonds1

About 2-chloro-6-methyl-3-pyridin-4-ylpyridine

2-chloro-6-methyl-3-pyridin-4-ylpyridine (PubChem CID 46315353) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-3-pyridin-4-ylpyridine
PubChem CID46315353
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-chloro-6-methyl-3-pyridin-4-ylpyridine
SMILESCc1ccc(-c2ccncc2)c(Cl)n1
InChIInChI=1S/C11H9ClN2/c1-8-2-3-10(11(12)14-8)9-4-6-13-7-5-9/h2-7H,1H3
InChIKeyOPYROMNJKKPXKD-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.11
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-pyridin-4-ylpyridine?
The IUPAC name of 2-chloro-6-methyl-3-pyridin-4-ylpyridine (CID 46315353) is 2-chloro-6-methyl-3-pyridin-4-ylpyridine.
What is the SMILES notation for 2-chloro-6-methyl-3-pyridin-4-ylpyridine?
The canonical SMILES for 2-chloro-6-methyl-3-pyridin-4-ylpyridine is Cc1ccc(-c2ccncc2)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-3-pyridin-4-ylpyridine?
The InChIKey is OPYROMNJKKPXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-8-2-3-10(11(12)14-8)9-4-6-13-7-5-9/h2-7H,1H3.
What are the key properties of 2-chloro-6-methyl-3-pyridin-4-ylpyridine?
2-chloro-6-methyl-3-pyridin-4-ylpyridine has a molecular weight of 204.66 g/mol, XLogP of 3.11, 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-pyridin-4-ylpyridine is sourced from PubChem (CID 46315353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).