2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine

C11H3Cl6N — CID 134619705

IUPAC2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESClc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccn1
InChIInChI=1S/C11H3Cl6N/c12-5-3-4(1-2-18-5)6-7(13)9(15)11(17)10(16)8(6)14/h1-3H
InChIKeyAORRGKYCXGIKJS-UHFFFAOYSA-N
MW361.87 g/mol
LogP6.67
Rot. Bonds1

About 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine

2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine (PubChem CID 134619705) has the molecular formula C11H3Cl6N and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
PubChem CID134619705
Molecular FormulaC11H3Cl6N
Molecular Weight361.87 g/mol
Exact Mass358.84
IUPAC Name2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESClc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccn1
InChIInChI=1S/C11H3Cl6N/c12-5-3-4(1-2-18-5)6-7(13)9(15)11(17)10(16)8(6)14/h1-3H
InChIKeyAORRGKYCXGIKJS-UHFFFAOYSA-N
XLogP6.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-pyridinyl)pyrazine
CID 71615032
4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine
CID 102821923
4-(4-tert-butyl-2,6-diphenylphenyl)-2-chloropyridine
CID 146704594
4-(2-chloro-4-pyridinyl)thiophen-2-amine
CID 59011212
5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97058010
2-chloro-4-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethylphenyl]pyridine
CID 173054784
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967
4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
CID 16637811
5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole
CID 166610729
2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine
CID 58592618
3-tert-butyl-5-(2-chloro-4-pyridinyl)-1,2,4-oxadiazole
CID 53353034
2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
CID 122646749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The IUPAC name of 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine (CID 134619705) is 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine.
What is the SMILES notation for 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The canonical SMILES for 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine is Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccn1.
What is the InChIKey of 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The InChIKey is AORRGKYCXGIKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl6N/c12-5-3-4(1-2-18-5)6-7(13)9(15)11(17)10(16)8(6)14/h1-3H.
What are the key properties of 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine has a molecular weight of 361.87 g/mol, XLogP of 6.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine is sourced from PubChem (CID 134619705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).