2,3,4,5,6-pentachloropyridine

C5Cl5N — CID 16584

IUPAC2,3,4,5,6-pentachloropyridine
SMILESClc1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKeyDNDPLEAVNVOOQZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.35
Rot. Bonds

About 2,3,4,5,6-pentachloropyridine

2,3,4,5,6-pentachloropyridine (PubChem CID 16584) has the molecular formula C5Cl5N and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,3,4,5,6-pentachloropyridine.

Molecular Properties

Compound Name2,3,4,5,6-pentachloropyridine
PubChem CID16584
Molecular FormulaC5Cl5N
Molecular Weight251.33 g/mol
Exact Mass248.85
IUPAC Name2,3,4,5,6-pentachloropyridine
SMILESClc1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKeyDNDPLEAVNVOOQZ-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.35
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

2,3,5,6-Tetrachloropyridine
CID 16990
Pyridine, 2,3,4,5-tetrachloro-6-(trichloromethyl)-
CID 70811
Tetrachloropicolinonitrile
CID 87323
3,5-Dichloro-2,4,6-trifluoropyridine
CID 61273
4-Amino-3,5,6-trichloro-2-(trichloromethyl)pyridine
CID 138402
2,4,5,6-Tetrachloronicotinonitrile
CID 728674
2,3,6-Trichloropyridine
CID 23016
4-Pyridinamine, 2,3,5,6-tetrachloro-
CID 1556893
Pyridine, 3,4,5-trichloro-2,6-difluoro-
CID 6453828
Pyridine, 2,3,5-trichloro-4,6-difluoro-
CID 13491833
2,3,5,6-Tetrachloro-4-(methylthio)pyridine
CID 89946
2,3,4,6-Tetrachloropyridine
CID 84208

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentachloropyridine?
The IUPAC name of 2,3,4,5,6-pentachloropyridine (CID 16584) is 2,3,4,5,6-pentachloropyridine.
What is the SMILES notation for 2,3,4,5,6-pentachloropyridine?
The canonical SMILES for 2,3,4,5,6-pentachloropyridine is Clc1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5,6-pentachloropyridine?
The InChIKey is DNDPLEAVNVOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8.
What are the key properties of 2,3,4,5,6-pentachloropyridine?
2,3,4,5,6-pentachloropyridine has a molecular weight of 251.33 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentachloropyridine is sourced from PubChem (CID 16584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).