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

C11H5Cl3IN — CID 134637718

IUPAC3-iodo-5-(2,4,5-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2cncc(I)c2)cc1Cl
InChIInChI=1S/C11H5Cl3IN/c12-9-3-11(14)10(13)2-8(9)6-1-7(15)5-16-4-6/h1-5H
InChIKeyPSZXYEGLYXAGAM-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.31
Rot. Bonds1

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

3-iodo-5-(2,4,5-trichlorophenyl)pyridine (PubChem CID 134637718) has the molecular formula C11H5Cl3IN and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-iodo-5-(2,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name3-iodo-5-(2,4,5-trichlorophenyl)pyridine
PubChem CID134637718
Molecular FormulaC11H5Cl3IN
Molecular Weight384.43 g/mol
Exact Mass382.85
IUPAC Name3-iodo-5-(2,4,5-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2cncc(I)c2)cc1Cl
InChIInChI=1S/C11H5Cl3IN/c12-9-3-11(14)10(13)2-8(9)6-1-7(15)5-16-4-6/h1-5H
InChIKeyPSZXYEGLYXAGAM-UHFFFAOYSA-N
XLogP5.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine
CID 134623724
2,5-dichloro-4-(5-fluoro-3-pyridinyl)phenol
CID 107663314
[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134623378
2-chloro-4-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 119013818
1,2,4-trichloro-5-phenylbenzene
CID 27514
5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine
CID 134629812
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134628594
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol
CID 107663406
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
4-(5-amino-3-pyridinyl)-5-chloropyridin-2-amine
CID 123343700
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(2,4,5-trichlorophenyl)pyridine?
The IUPAC name of 3-iodo-5-(2,4,5-trichlorophenyl)pyridine (CID 134637718) is 3-iodo-5-(2,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 3-iodo-5-(2,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 3-iodo-5-(2,4,5-trichlorophenyl)pyridine is Clc1cc(Cl)c(-c2cncc(I)c2)cc1Cl.
What is the InChIKey of 3-iodo-5-(2,4,5-trichlorophenyl)pyridine?
The InChIKey is PSZXYEGLYXAGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3IN/c12-9-3-11(14)10(13)2-8(9)6-1-7(15)5-16-4-6/h1-5H.
What are the key properties of 3-iodo-5-(2,4,5-trichlorophenyl)pyridine?
3-iodo-5-(2,4,5-trichlorophenyl)pyridine has a molecular weight of 384.43 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(2,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134637718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).