2-chloro-3-iodo-4,5,6-trimethylpyridine

C8H9ClIN — CID 131701568

IUPAC2-chloro-3-iodo-4,5,6-trimethylpyridine
SMILESCc1nc(Cl)c(I)c(C)c1C
InChIInChI=1S/C8H9ClIN/c1-4-5(2)7(10)8(9)11-6(4)3/h1-3H3
InChIKeyAYOMQKJCTYKNPJ-UHFFFAOYSA-N
MW281.52 g/mol
LogP3.26
Rot. Bonds

About 2-chloro-3-iodo-4,5,6-trimethylpyridine

2-chloro-3-iodo-4,5,6-trimethylpyridine (PubChem CID 131701568) has the molecular formula C8H9ClIN and a molecular weight of 281.52 g/mol. Its IUPAC name is 2-chloro-3-iodo-4,5,6-trimethylpyridine.

Molecular Properties

Compound Name2-chloro-3-iodo-4,5,6-trimethylpyridine
PubChem CID131701568
Molecular FormulaC8H9ClIN
Molecular Weight281.52 g/mol
Exact Mass280.95
IUPAC Name2-chloro-3-iodo-4,5,6-trimethylpyridine
SMILESCc1nc(Cl)c(I)c(C)c1C
InChIInChI=1S/C8H9ClIN/c1-4-5(2)7(10)8(9)11-6(4)3/h1-3H3
InChIKeyAYOMQKJCTYKNPJ-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane
CID 177008253
2-tert-butyl-4-chloro-5-iodo-6-methylpyrimidine
CID 66294575
3-bromo-2,4-dichloro-5,6-dimethylpyridine
CID 169250788
2-chloro-4,5,6-trimethylpyrimidine
CID 12501987
2,4-dichloro-5,6-dimethylpyrimidine
CID 156777151
4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine
CID 133080967
5,6-dichloro-2,4-dimethylpyridin-3-amine;ethane
CID 156715440
4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid
CID 142395215
4,6-dichloro-5-iodo-2-methoxypyrimidine
CID 73012684
3-bromo-2-chloro-5-iodo-6-methylpyridine
CID 130133378
2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine
CID 129065740
4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
CID 66312430

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-iodo-4,5,6-trimethylpyridine?
The IUPAC name of 2-chloro-3-iodo-4,5,6-trimethylpyridine (CID 131701568) is 2-chloro-3-iodo-4,5,6-trimethylpyridine.
What is the SMILES notation for 2-chloro-3-iodo-4,5,6-trimethylpyridine?
The canonical SMILES for 2-chloro-3-iodo-4,5,6-trimethylpyridine is Cc1nc(Cl)c(I)c(C)c1C.
What is the InChIKey of 2-chloro-3-iodo-4,5,6-trimethylpyridine?
The InChIKey is AYOMQKJCTYKNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClIN/c1-4-5(2)7(10)8(9)11-6(4)3/h1-3H3.
What are the key properties of 2-chloro-3-iodo-4,5,6-trimethylpyridine?
2-chloro-3-iodo-4,5,6-trimethylpyridine has a molecular weight of 281.52 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-iodo-4,5,6-trimethylpyridine is sourced from PubChem (CID 131701568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).