2,6-dichloro-3-methyl-4-phenylpyridine

C12H9Cl2N — CID 15154293

IUPAC2,6-dichloro-3-methyl-4-phenylpyridine
SMILESCc1c(-c2ccccc2)cc(Cl)nc1Cl
InChIInChI=1S/C12H9Cl2N/c1-8-10(7-11(13)15-12(8)14)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyXWWHLMAVNKJWNZ-UHFFFAOYSA-N
MW238.12 g/mol
LogP4.36
Rot. Bonds1

About 2,6-dichloro-3-methyl-4-phenylpyridine

2,6-dichloro-3-methyl-4-phenylpyridine (PubChem CID 15154293) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 2,6-dichloro-3-methyl-4-phenylpyridine.

Molecular Properties

Compound Name2,6-dichloro-3-methyl-4-phenylpyridine
PubChem CID15154293
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name2,6-dichloro-3-methyl-4-phenylpyridine
SMILESCc1c(-c2ccccc2)cc(Cl)nc1Cl
InChIInChI=1S/C12H9Cl2N/c1-8-10(7-11(13)15-12(8)14)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyXWWHLMAVNKJWNZ-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,6-dichloro-3-methyl-4-phenylpyridine?
The IUPAC name of 2,6-dichloro-3-methyl-4-phenylpyridine (CID 15154293) is 2,6-dichloro-3-methyl-4-phenylpyridine.
What is the SMILES notation for 2,6-dichloro-3-methyl-4-phenylpyridine?
The canonical SMILES for 2,6-dichloro-3-methyl-4-phenylpyridine is Cc1c(-c2ccccc2)cc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-methyl-4-phenylpyridine?
The InChIKey is XWWHLMAVNKJWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c1-8-10(7-11(13)15-12(8)14)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2,6-dichloro-3-methyl-4-phenylpyridine?
2,6-dichloro-3-methyl-4-phenylpyridine has a molecular weight of 238.12 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methyl-4-phenylpyridine is sourced from PubChem (CID 15154293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).