iodomethane;2-iodo-6-methylquinoline

C11H11I2N — CID 87637149

IUPACiodomethane;2-iodo-6-methylquinoline
SMILESCI.Cc1ccc2nc(I)ccc2c1
InChIInChI=1S/C10H8IN.CH3I/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-2/h2-6H,1H3;1H3
InChIKeyUQLPKLLDNHOAON-UHFFFAOYSA-N
MW411.02 g/mol
LogP4.20
Rot. Bonds

About iodomethane;2-iodo-6-methylquinoline

iodomethane;2-iodo-6-methylquinoline (PubChem CID 87637149) has the molecular formula C11H11I2N and a molecular weight of 411.02 g/mol. Its IUPAC name is iodomethane;2-iodo-6-methylquinoline.

Molecular Properties

Compound Nameiodomethane;2-iodo-6-methylquinoline
PubChem CID87637149
Molecular FormulaC11H11I2N
Molecular Weight411.02 g/mol
Exact Mass410.90
IUPAC Nameiodomethane;2-iodo-6-methylquinoline
SMILESCI.Cc1ccc2nc(I)ccc2c1
InChIInChI=1S/C10H8IN.CH3I/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-2/h2-6H,1H3;1H3
InChIKeyUQLPKLLDNHOAON-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.02
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodomethane;2-iodo-6-methylquinoline?
The IUPAC name of iodomethane;2-iodo-6-methylquinoline (CID 87637149) is iodomethane;2-iodo-6-methylquinoline.
What is the SMILES notation for iodomethane;2-iodo-6-methylquinoline?
The canonical SMILES for iodomethane;2-iodo-6-methylquinoline is CI.Cc1ccc2nc(I)ccc2c1.
What is the InChIKey of iodomethane;2-iodo-6-methylquinoline?
The InChIKey is UQLPKLLDNHOAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN.CH3I/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-2/h2-6H,1H3;1H3.
What are the key properties of iodomethane;2-iodo-6-methylquinoline?
iodomethane;2-iodo-6-methylquinoline has a molecular weight of 411.02 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;2-iodo-6-methylquinoline is sourced from PubChem (CID 87637149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).