5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine

C17H6Cl7N — CID 134637033

IUPAC5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
SMILESClc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C17H6Cl7N/c18-7-5-8(13-9(19)1-3-11(21)15(13)23)17(25-6-7)14-10(20)2-4-12(22)16(14)24/h1-6H
InChIKeyVQGNGGFLZTYMNX-UHFFFAOYSA-N
MW472.41 g/mol
LogP8.99
Rot. Bonds2

About 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine

5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine (PubChem CID 134637033) has the molecular formula C17H6Cl7N and a molecular weight of 472.41 g/mol. Its IUPAC name is 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine.

Molecular Properties

Compound Name5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
PubChem CID134637033
Molecular FormulaC17H6Cl7N
Molecular Weight472.41 g/mol
Exact Mass468.83
IUPAC Name5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
SMILESClc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C17H6Cl7N/c18-7-5-8(13-9(19)1-3-11(21)15(13)23)17(25-6-7)14-10(20)2-4-12(22)16(14)24/h1-6H
InChIKeyVQGNGGFLZTYMNX-UHFFFAOYSA-N
XLogP8.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.41
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
CID 134637224
5-chloro-6-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 133092526
5-chloro-2-(2,3,4-trichlorophenyl)pyridin-3-amine
CID 134624210
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660
5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134637003
5-chloro-3-(6-chloro-2,3-difluorophenyl)pyridin-2-amine
CID 114275267
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637276
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol
CID 133092515
4-fluoro-3-(2,3,6-trichlorophenyl)pyridine
CID 134637571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine?
The IUPAC name of 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine (CID 134637033) is 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine.
What is the SMILES notation for 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine?
The canonical SMILES for 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine is Clc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine?
The InChIKey is VQGNGGFLZTYMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6Cl7N/c18-7-5-8(13-9(19)1-3-11(21)15(13)23)17(25-6-7)14-10(20)2-4-12(22)16(14)24/h1-6H.
What are the key properties of 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine?
5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine has a molecular weight of 472.41 g/mol, XLogP of 8.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine is sourced from PubChem (CID 134637033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).