ethane;2,4,6-trichloro-3-phenylpyridine

C13H12Cl3N — CID 91101159

IUPACethane;2,4,6-trichloro-3-phenylpyridine
SMILESCC.Clc1cc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H6Cl3N.C2H6/c12-8-6-9(13)15-11(14)10(8)7-4-2-1-3-5-7;1-2/h1-6H;1-2H3
InChIKeyYVGWVSGAOKUNJR-UHFFFAOYSA-N
MW288.61 g/mol
LogP5.74
Rot. Bonds1

About ethane;2,4,6-trichloro-3-phenylpyridine

ethane;2,4,6-trichloro-3-phenylpyridine (PubChem CID 91101159) has the molecular formula C13H12Cl3N and a molecular weight of 288.61 g/mol. Its IUPAC name is ethane;2,4,6-trichloro-3-phenylpyridine.

Molecular Properties

Compound Nameethane;2,4,6-trichloro-3-phenylpyridine
PubChem CID91101159
Molecular FormulaC13H12Cl3N
Molecular Weight288.61 g/mol
Exact Mass287.00
IUPAC Nameethane;2,4,6-trichloro-3-phenylpyridine
SMILESCC.Clc1cc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H6Cl3N.C2H6/c12-8-6-9(13)15-11(14)10(8)7-4-2-1-3-5-7;1-2/h1-6H;1-2H3
InChIKeyYVGWVSGAOKUNJR-UHFFFAOYSA-N
XLogP5.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.61
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2,4,6-trichloro-3-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-3-methyl-4-phenylpyridine
CID 15154293
5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
CID 59007781
2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine
CID 65422322
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
5-bromo-1,3-dichloro-2-phenylbenzene
CID 54302815
1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene
CID 68955843
4,6-dichloro-3-isocyano-2-phenylpyridine
CID 123187056
1-chloro-3-methyl-5-phenylbenzene;ethane
CID 143782366
2-(tert-butylsulfanylmethyl)-4,6-dichloro-5-phenylpyrimidine
CID 65431005
4-chloro-6-methyl-5-phenyl-2-(trifluoromethyl)pyrimidine
CID 58089417
4,6-dichloro-2-(1-methylsulfonylethyl)-5-phenylpyrimidine
CID 116633013

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,6-trichloro-3-phenylpyridine?
The IUPAC name of ethane;2,4,6-trichloro-3-phenylpyridine (CID 91101159) is ethane;2,4,6-trichloro-3-phenylpyridine.
What is the SMILES notation for ethane;2,4,6-trichloro-3-phenylpyridine?
The canonical SMILES for ethane;2,4,6-trichloro-3-phenylpyridine is CC.Clc1cc(Cl)c(-c2ccccc2)c(Cl)n1.
What is the InChIKey of ethane;2,4,6-trichloro-3-phenylpyridine?
The InChIKey is YVGWVSGAOKUNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N.C2H6/c12-8-6-9(13)15-11(14)10(8)7-4-2-1-3-5-7;1-2/h1-6H;1-2H3.
What are the key properties of ethane;2,4,6-trichloro-3-phenylpyridine?
ethane;2,4,6-trichloro-3-phenylpyridine has a molecular weight of 288.61 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,6-trichloro-3-phenylpyridine is sourced from PubChem (CID 91101159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).