3-iodo-1,2-dimethylindole

C10H10IN — CID 19093282

IUPAC3-iodo-1,2-dimethylindole
SMILESCc1c(I)c2ccccc2n1C
InChIInChI=1S/C10H10IN/c1-7-10(11)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3
InChIKeySSZIXUUGWDPQGJ-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.09
Rot. Bonds

About 3-iodo-1,2-dimethylindole

3-iodo-1,2-dimethylindole (PubChem CID 19093282) has the molecular formula C10H10IN and a molecular weight of 271.10 g/mol. Its IUPAC name is 3-iodo-1,2-dimethylindole.

Molecular Properties

Compound Name3-iodo-1,2-dimethylindole
PubChem CID19093282
Molecular FormulaC10H10IN
Molecular Weight271.10 g/mol
Exact Mass270.99
IUPAC Name3-iodo-1,2-dimethylindole
SMILESCc1c(I)c2ccccc2n1C
InChIInChI=1S/C10H10IN/c1-7-10(11)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3
InChIKeySSZIXUUGWDPQGJ-UHFFFAOYSA-N
XLogP3.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-diiodo-1-methylindole
CID 10762499
ethane;1,2,3-trimethylindole
CID 91590745
3-iodo-1-methyl-2-methylsulfanylindole
CID 125490315
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
3-iodo-1-methyl-2-(trifluoromethyl)indole
CID 165178888
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
ethane;bis(9-methylcarbazole)
CID 159710949
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
ethane;9-methylcarbazole;triphenylene
CID 142356751
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol
CID 102430889
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,2-dimethylindole?
The IUPAC name of 3-iodo-1,2-dimethylindole (CID 19093282) is 3-iodo-1,2-dimethylindole.
What is the SMILES notation for 3-iodo-1,2-dimethylindole?
The canonical SMILES for 3-iodo-1,2-dimethylindole is Cc1c(I)c2ccccc2n1C.
What is the InChIKey of 3-iodo-1,2-dimethylindole?
The InChIKey is SSZIXUUGWDPQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN/c1-7-10(11)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3.
What are the key properties of 3-iodo-1,2-dimethylindole?
3-iodo-1,2-dimethylindole has a molecular weight of 271.10 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,2-dimethylindole is sourced from PubChem (CID 19093282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).