2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine

C11H4Cl4IN — CID 118999375

IUPAC2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine
SMILESClc1cc(I)c(-c2cc(Cl)c(Cl)c(Cl)c2)cn1
InChIInChI=1S/C11H4Cl4IN/c12-7-1-5(2-8(13)11(7)15)6-4-17-10(14)3-9(6)16/h1-4H
InChIKeyKYCYGTKUJZGRKQ-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.97
Rot. Bonds1

About 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine

2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine (PubChem CID 118999375) has the molecular formula C11H4Cl4IN and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine
PubChem CID118999375
Molecular FormulaC11H4Cl4IN
Molecular Weight418.88 g/mol
Exact Mass416.81
IUPAC Name2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine
SMILESClc1cc(I)c(-c2cc(Cl)c(Cl)c(Cl)c2)cn1
InChIInChI=1S/C11H4Cl4IN/c12-7-1-5(2-8(13)11(7)15)6-4-17-10(14)3-9(6)16/h1-4H
InChIKeyKYCYGTKUJZGRKQ-UHFFFAOYSA-N
XLogP5.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.97
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_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 119013818
2-chloro-5-(3-fluorophenyl)-4-iodopyridine
CID 46311974
2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 119021738
6-chloro-4-iodopyridin-3-amine
CID 18407040
4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637060
[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 134636305
5-(3,4,5-trichlorophenyl)pyrimidin-2-amine
CID 118996100
3,5-bis(3,4,5-trichlorophenyl)pyridine
CID 134623434
5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637828
2-chloro-5-iodo-4-nitropyridine
CID 131211540
2-chloro-4-iodo-5-(2-methylpropyl)pyridine
CID 174632240
2-chloro-4-ethyl-5-iodopyridine
CID 58200728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine?
The IUPAC name of 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine (CID 118999375) is 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine is Clc1cc(I)c(-c2cc(Cl)c(Cl)c(Cl)c2)cn1.
What is the InChIKey of 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine?
The InChIKey is KYCYGTKUJZGRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl4IN/c12-7-1-5(2-8(13)11(7)15)6-4-17-10(14)3-9(6)16/h1-4H.
What are the key properties of 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine?
2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine has a molecular weight of 418.88 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 118999375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).