2,6-dichloro-3-phenylpyridine

C11H7Cl2N — CID 817414

IUPAC2,6-dichloro-3-phenylpyridine
SMILESClc1ccc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H7Cl2N/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyMTUMHWPBSOBUCL-UHFFFAOYSA-N
MW224.09 g/mol
LogP4.06
Rot. Bonds1

About 2,6-dichloro-3-phenylpyridine

2,6-dichloro-3-phenylpyridine (PubChem CID 817414) has the molecular formula C11H7Cl2N and a molecular weight of 224.09 g/mol. Its IUPAC name is 2,6-dichloro-3-phenylpyridine.

Molecular Properties

Compound Name2,6-dichloro-3-phenylpyridine
PubChem CID817414
Molecular FormulaC11H7Cl2N
Molecular Weight224.09 g/mol
Exact Mass223.00
IUPAC Name2,6-dichloro-3-phenylpyridine
SMILESClc1ccc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H7Cl2N/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyMTUMHWPBSOBUCL-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 54.06
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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Related Compounds

2,6-Dichloropyridine
CID 16989
2-Chloro-3-(chloromethyl)quinoline
CID 2063384
2-Chloroquinoline
CID 11928
3-Cyano-2,6-dichloro-4-methylpyridine
CID 70131
2-Chloro-4-methylquinoline
CID 69449
2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile
CID 366010
2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile
CID 2764123
2-[4-(3-Chlorophenyl)but-1-yn-1-yl]-6-methylpyridine
CID 11379837
Pyridinitril
CID 14146
4-(4'-Chlorobenzyl)pyridine
CID 78124
2,6-Dichloro-3-(trichloromethyl)pyridine
CID 108701
1,3-Dichloroisoquinoline
CID 298625

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-phenylpyridine?
The IUPAC name of 2,6-dichloro-3-phenylpyridine (CID 817414) is 2,6-dichloro-3-phenylpyridine.
What is the SMILES notation for 2,6-dichloro-3-phenylpyridine?
The canonical SMILES for 2,6-dichloro-3-phenylpyridine is Clc1ccc(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 2,6-dichloro-3-phenylpyridine?
The InChIKey is MTUMHWPBSOBUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2,6-dichloro-3-phenylpyridine?
2,6-dichloro-3-phenylpyridine has a molecular weight of 224.09 g/mol, XLogP of 4.06, 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-phenylpyridine is sourced from PubChem (CID 817414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).