4-(4-iodo-3-pyridinyl)pyrimidine

C9H6IN3 — CID 147379627

IUPAC4-(4-iodo-3-pyridinyl)pyrimidine
SMILESIc1ccncc1-c1ccncn1
InChIInChI=1S/C9H6IN3/c10-8-1-3-11-5-7(8)9-2-4-12-6-13-9/h1-6H
InChIKeyZUAINNKZDPHKPC-UHFFFAOYSA-N
MW283.07 g/mol
LogP2.14
Rot. Bonds1

About 4-(4-iodo-3-pyridinyl)pyrimidine

4-(4-iodo-3-pyridinyl)pyrimidine (PubChem CID 147379627) has the molecular formula C9H6IN3 and a molecular weight of 283.07 g/mol. Its IUPAC name is 4-(4-iodo-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-(4-iodo-3-pyridinyl)pyrimidine
PubChem CID147379627
Molecular FormulaC9H6IN3
Molecular Weight283.07 g/mol
Exact Mass282.96
IUPAC Name4-(4-iodo-3-pyridinyl)pyrimidine
SMILESIc1ccncc1-c1ccncn1
InChIInChI=1S/C9H6IN3/c10-8-1-3-11-5-7(8)9-2-4-12-6-13-9/h1-6H
InChIKeyZUAINNKZDPHKPC-UHFFFAOYSA-N
XLogP2.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.07
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pyrrolo[3,2-d][1,3]diazepine
CID 70359339
5-iodo-1-methyl-3-pyrimidin-4-ylindole
CID 58221787
4-(2-fluoro-3-pyridinyl)pyrimidine
CID 67036363
CID 135006012
CID 135006012
4-(2,5-dichlorophenyl)pyrimidine
CID 130088774
4-iodo-3-(2,3,4-trichlorophenyl)pyridine
CID 134636344
4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643
2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole
CID 91664202
4-(2,3-dimethylphenyl)pyrimidine;ethane
CID 144625343
2,5-dimethyl-4-pyrimidin-4-ylphenol
CID 136929191
2-chloro-3-pyrimidin-4-ylbenzenethiol
CID 166070548
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodo-3-pyridinyl)pyrimidine?
The IUPAC name of 4-(4-iodo-3-pyridinyl)pyrimidine (CID 147379627) is 4-(4-iodo-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4-(4-iodo-3-pyridinyl)pyrimidine?
The canonical SMILES for 4-(4-iodo-3-pyridinyl)pyrimidine is Ic1ccncc1-c1ccncn1.
What is the InChIKey of 4-(4-iodo-3-pyridinyl)pyrimidine?
The InChIKey is ZUAINNKZDPHKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3/c10-8-1-3-11-5-7(8)9-2-4-12-6-13-9/h1-6H.
What are the key properties of 4-(4-iodo-3-pyridinyl)pyrimidine?
4-(4-iodo-3-pyridinyl)pyrimidine has a molecular weight of 283.07 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-3-pyridinyl)pyrimidine is sourced from PubChem (CID 147379627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).