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

C12H8BrCl2N — CID 59007781

IUPAC5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
SMILESCc1nc(Cl)c(-c2ccccc2)c(Cl)c1Br
InChIInChI=1S/C12H8BrCl2N/c1-7-10(13)11(14)9(12(15)16-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyYVCVPEFLDJMHBQ-UHFFFAOYSA-N
MW317.01 g/mol
LogP5.13
Rot. Bonds1

About 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine

5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine (PubChem CID 59007781) has the molecular formula C12H8BrCl2N and a molecular weight of 317.01 g/mol. Its IUPAC name is 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine.

Molecular Properties

Compound Name5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
PubChem CID59007781
Molecular FormulaC12H8BrCl2N
Molecular Weight317.01 g/mol
Exact Mass314.92
IUPAC Name5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
SMILESCc1nc(Cl)c(-c2ccccc2)c(Cl)c1Br
InChIInChI=1S/C12H8BrCl2N/c1-7-10(13)11(14)9(12(15)16-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyYVCVPEFLDJMHBQ-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.01
LogP ≤ 55.13
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 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine?
The IUPAC name of 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine (CID 59007781) is 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine.
What is the SMILES notation for 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine?
The canonical SMILES for 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine is Cc1nc(Cl)c(-c2ccccc2)c(Cl)c1Br.
What is the InChIKey of 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine?
The InChIKey is YVCVPEFLDJMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N/c1-7-10(13)11(14)9(12(15)16-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine?
5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine has a molecular weight of 317.01 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine is sourced from PubChem (CID 59007781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).