2-(5-iodothiophen-2-yl)quinoline

C13H8INS — CID 125484417

IUPAC2-(5-iodothiophen-2-yl)quinoline
SMILESIc1ccc(-c2ccc3ccccc3n2)s1
InChIInChI=1S/C13H8INS/c14-13-8-7-12(16-13)11-6-5-9-3-1-2-4-10(9)15-11/h1-8H
InChIKeyNWYOLWJUZPHXAT-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.57
Rot. Bonds1

About 2-(5-iodothiophen-2-yl)quinoline

2-(5-iodothiophen-2-yl)quinoline (PubChem CID 125484417) has the molecular formula C13H8INS and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(5-iodothiophen-2-yl)quinoline.

Molecular Properties

Compound Name2-(5-iodothiophen-2-yl)quinoline
PubChem CID125484417
Molecular FormulaC13H8INS
Molecular Weight337.19 g/mol
Exact Mass336.94
IUPAC Name2-(5-iodothiophen-2-yl)quinoline
SMILESIc1ccc(-c2ccc3ccccc3n2)s1
InChIInChI=1S/C13H8INS/c14-13-8-7-12(16-13)11-6-5-9-3-1-2-4-10(9)15-11/h1-8H
InChIKeyNWYOLWJUZPHXAT-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;tris(2-phenylquinoline)
CID 122129463
2-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
2-iodoquinoline
CID 159061150
dichloroplatinum;2-phenylquinoline
CID 175341425
CID 158897445
CID 158897445
quinolin-2-amine;zirconium
CID 175251209
3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole
CID 112572320
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
phenothiazin-3-ylideneazanium
CID 88897995
2-[4-(difluoromethyl)phenyl]quinoline
CID 140737123
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodothiophen-2-yl)quinoline?
The IUPAC name of 2-(5-iodothiophen-2-yl)quinoline (CID 125484417) is 2-(5-iodothiophen-2-yl)quinoline.
What is the SMILES notation for 2-(5-iodothiophen-2-yl)quinoline?
The canonical SMILES for 2-(5-iodothiophen-2-yl)quinoline is Ic1ccc(-c2ccc3ccccc3n2)s1.
What is the InChIKey of 2-(5-iodothiophen-2-yl)quinoline?
The InChIKey is NWYOLWJUZPHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8INS/c14-13-8-7-12(16-13)11-6-5-9-3-1-2-4-10(9)15-11/h1-8H.
What are the key properties of 2-(5-iodothiophen-2-yl)quinoline?
2-(5-iodothiophen-2-yl)quinoline has a molecular weight of 337.19 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodothiophen-2-yl)quinoline is sourced from PubChem (CID 125484417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).