2-iodoquinoline

C18H12I2N2 — CID 159061150

IUPAC2-iodoquinoline
SMILESIc1ccc2ccccc2n1.Ic1ccc2ccccc2n1
InChIInChI=1S/2C9H6IN/c2*10-9-6-5-7-3-1-2-4-8(7)11-9/h2*1-6H
InChIKeyJYMGOBLYCYYYMW-UHFFFAOYSA-N
MW510.12 g/mol
LogP5.68
Rot. Bonds

About 2-iodoquinoline

2-iodoquinoline (PubChem CID 159061150) has the molecular formula C18H12I2N2 and a molecular weight of 510.12 g/mol. Its IUPAC name is 2-iodoquinoline.

Molecular Properties

Compound Name2-iodoquinoline
PubChem CID159061150
Molecular FormulaC18H12I2N2
Molecular Weight510.12 g/mol
Exact Mass509.91
IUPAC Name2-iodoquinoline
SMILESIc1ccc2ccccc2n1.Ic1ccc2ccccc2n1
InChIInChI=1S/2C9H6IN/c2*10-9-6-5-7-3-1-2-4-8(7)11-9/h2*1-6H
InChIKeyJYMGOBLYCYYYMW-UHFFFAOYSA-N
XLogP5.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.12
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(iodomethyl)quinoline
CID 19432604
iridium;tris(2-phenylquinoline)
CID 122129463
2-(2-phenylpropan-2-yl)quinoline
CID 151236236
2-tert-butylquinoline;methane
CID 164995315
silver quinolin-2-olate
CID 162166701
2-fluoroquinoline;methane
CID 156751124
quinolin-2-amine;zirconium
CID 175251209
CID 158897445
CID 158897445
2-(5-iodothiophen-2-yl)quinoline
CID 125484417
iodomethane;2-iodo-6-methylquinoline
CID 87637149
acridine
CID 21226281
ethane;methane;2-methylquinoline
CID 144748871

Frequently Asked Questions

What is the IUPAC name of 2-iodoquinoline?
The IUPAC name of 2-iodoquinoline (CID 159061150) is 2-iodoquinoline.
What is the SMILES notation for 2-iodoquinoline?
The canonical SMILES for 2-iodoquinoline is Ic1ccc2ccccc2n1.Ic1ccc2ccccc2n1.
What is the InChIKey of 2-iodoquinoline?
The InChIKey is JYMGOBLYCYYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H6IN/c2*10-9-6-5-7-3-1-2-4-8(7)11-9/h2*1-6H.
What are the key properties of 2-iodoquinoline?
2-iodoquinoline has a molecular weight of 510.12 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoquinoline is sourced from PubChem (CID 159061150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).