8-(6-iodopyrimidin-4-yl)quinoline

C13H8IN3 — CID 51355843

IUPAC8-(6-iodopyrimidin-4-yl)quinoline
SMILESIc1cc(-c2cccc3cccnc23)ncn1
InChIInChI=1S/C13H8IN3/c14-12-7-11(16-8-17-12)10-5-1-3-9-4-2-6-15-13(9)10/h1-8H
InChIKeyCUOXUCICJUFDMU-UHFFFAOYSA-N
MW333.13 g/mol
LogP3.30
Rot. Bonds1

About 8-(6-iodopyrimidin-4-yl)quinoline

8-(6-iodopyrimidin-4-yl)quinoline (PubChem CID 51355843) has the molecular formula C13H8IN3 and a molecular weight of 333.13 g/mol. Its IUPAC name is 8-(6-iodopyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name8-(6-iodopyrimidin-4-yl)quinoline
PubChem CID51355843
Molecular FormulaC13H8IN3
Molecular Weight333.13 g/mol
Exact Mass332.98
IUPAC Name8-(6-iodopyrimidin-4-yl)quinoline
SMILESIc1cc(-c2cccc3cccnc23)ncn1
InChIInChI=1S/C13H8IN3/c14-12-7-11(16-8-17-12)10-5-1-3-9-4-2-6-15-13(9)10/h1-8H
InChIKeyCUOXUCICJUFDMU-UHFFFAOYSA-N
XLogP3.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 53.30
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

8-pyridin-2-ylquinoline
CID 10982041
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate
CID 139126602
6-quinolin-8-ylpyridin-2-amine
CID 81223969
8-[3-(3-iodophenyl)phenyl]quinoline
CID 134445646
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
mercury;8-phenylquinoline;hydrate
CID 174770535
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168745905
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049

Frequently Asked Questions

What is the IUPAC name of 8-(6-iodopyrimidin-4-yl)quinoline?
The IUPAC name of 8-(6-iodopyrimidin-4-yl)quinoline (CID 51355843) is 8-(6-iodopyrimidin-4-yl)quinoline.
What is the SMILES notation for 8-(6-iodopyrimidin-4-yl)quinoline?
The canonical SMILES for 8-(6-iodopyrimidin-4-yl)quinoline is Ic1cc(-c2cccc3cccnc23)ncn1.
What is the InChIKey of 8-(6-iodopyrimidin-4-yl)quinoline?
The InChIKey is CUOXUCICJUFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3/c14-12-7-11(16-8-17-12)10-5-1-3-9-4-2-6-15-13(9)10/h1-8H.
What are the key properties of 8-(6-iodopyrimidin-4-yl)quinoline?
8-(6-iodopyrimidin-4-yl)quinoline has a molecular weight of 333.13 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-iodopyrimidin-4-yl)quinoline is sourced from PubChem (CID 51355843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).