3-iodo-1,6-dimethylisoquinoline

C11H10IN — CID 143289425

IUPAC3-iodo-1,6-dimethylisoquinoline
SMILESCc1ccc2c(C)nc(I)cc2c1
InChIInChI=1S/C11H10IN/c1-7-3-4-10-8(2)13-11(12)6-9(10)5-7/h3-6H,1-2H3
InChIKeyGYMJJXIQFQAVET-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.46
Rot. Bonds

About 3-iodo-1,6-dimethylisoquinoline

3-iodo-1,6-dimethylisoquinoline (PubChem CID 143289425) has the molecular formula C11H10IN and a molecular weight of 283.11 g/mol. Its IUPAC name is 3-iodo-1,6-dimethylisoquinoline.

Molecular Properties

Compound Name3-iodo-1,6-dimethylisoquinoline
PubChem CID143289425
Molecular FormulaC11H10IN
Molecular Weight283.11 g/mol
Exact Mass282.99
IUPAC Name3-iodo-1,6-dimethylisoquinoline
SMILESCc1ccc2c(C)nc(I)cc2c1
InChIInChI=1S/C11H10IN/c1-7-3-4-10-8(2)13-11(12)6-9(10)5-7/h3-6H,1-2H3
InChIKeyGYMJJXIQFQAVET-UHFFFAOYSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

ethane;1,3,6-trimethylnaphthalene
CID 91186069
1,6-dimethylisoquinoline;ethane
CID 156751069
2,7-dimethylphenanthrene;ethane
CID 91503011
iodomethane;2-iodo-6-methylquinoline
CID 87637149
2-iodo-11-methylphenanthro[9,10-b]pyridine
CID 166789626
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
1-bromo-2-iodo-6-methylnaphthalene
CID 142890089
3,6-diiodo-2,4-dimethylpyridine
CID 155467914
6-methylnaphthalene-1,2,3-triol
CID 22497955
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
12,23-dimethylheptacyclo[14.10.2.02,7.08,28.010,15.019,27.020,25]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122390139

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,6-dimethylisoquinoline?
The IUPAC name of 3-iodo-1,6-dimethylisoquinoline (CID 143289425) is 3-iodo-1,6-dimethylisoquinoline.
What is the SMILES notation for 3-iodo-1,6-dimethylisoquinoline?
The canonical SMILES for 3-iodo-1,6-dimethylisoquinoline is Cc1ccc2c(C)nc(I)cc2c1.
What is the InChIKey of 3-iodo-1,6-dimethylisoquinoline?
The InChIKey is GYMJJXIQFQAVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN/c1-7-3-4-10-8(2)13-11(12)6-9(10)5-7/h3-6H,1-2H3.
What are the key properties of 3-iodo-1,6-dimethylisoquinoline?
3-iodo-1,6-dimethylisoquinoline has a molecular weight of 283.11 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,6-dimethylisoquinoline is sourced from PubChem (CID 143289425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).