4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine

C11H9ClIN3 — CID 107502289

IUPAC4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine
SMILESCc1cc(-c2ncc(I)c(Cl)n2)cc(C)n1
InChIInChI=1S/C11H9ClIN3/c1-6-3-8(4-7(2)15-6)11-14-5-9(13)10(12)16-11/h3-5H,1-2H3
InChIKeyOJAUGHUIWPFPCW-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.41
Rot. Bonds1

About 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine

4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine (PubChem CID 107502289) has the molecular formula C11H9ClIN3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine
PubChem CID107502289
Molecular FormulaC11H9ClIN3
Molecular Weight345.57 g/mol
Exact Mass344.95
IUPAC Name4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine
SMILESCc1cc(-c2ncc(I)c(Cl)n2)cc(C)n1
InChIInChI=1S/C11H9ClIN3/c1-6-3-8(4-7(2)15-6)11-14-5-9(13)10(12)16-11/h3-5H,1-2H3
InChIKeyOJAUGHUIWPFPCW-UHFFFAOYSA-N
XLogP3.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine
CID 66313466
2-(4-bromophenyl)-4-chloro-5-iodopyrimidine
CID 66293475
5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine
CID 107504527
4-chloro-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-iodopyrimidine
CID 66313071
4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine
CID 131186384
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
CID 107502259
5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
CID 66312284
4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine
CID 66292658
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022
2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66295896
4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine
CID 103373064
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine (CID 107502289) is 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine is Cc1cc(-c2ncc(I)c(Cl)n2)cc(C)n1.
What is the InChIKey of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine?
The InChIKey is OJAUGHUIWPFPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3/c1-6-3-8(4-7(2)15-6)11-14-5-9(13)10(12)16-11/h3-5H,1-2H3.
What are the key properties of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine?
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine has a molecular weight of 345.57 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine is sourced from PubChem (CID 107502289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).