6,7-dibromo-4-iodo-1-methylindole

C9H6Br2IN — CID 125495238

IUPAC6,7-dibromo-4-iodo-1-methylindole
SMILESCn1ccc2c(I)cc(Br)c(Br)c21
InChIInChI=1S/C9H6Br2IN/c1-13-3-2-5-7(12)4-6(10)8(11)9(5)13/h2-4H,1H3
InChIKeyPGCINZCREHBHBM-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.31
Rot. Bonds

About 6,7-dibromo-4-iodo-1-methylindole

6,7-dibromo-4-iodo-1-methylindole (PubChem CID 125495238) has the molecular formula C9H6Br2IN and a molecular weight of 414.87 g/mol. Its IUPAC name is 6,7-dibromo-4-iodo-1-methylindole.

Molecular Properties

Compound Name6,7-dibromo-4-iodo-1-methylindole
PubChem CID125495238
Molecular FormulaC9H6Br2IN
Molecular Weight414.87 g/mol
Exact Mass412.79
IUPAC Name6,7-dibromo-4-iodo-1-methylindole
SMILESCn1ccc2c(I)cc(Br)c(Br)c21
InChIInChI=1S/C9H6Br2IN/c1-13-3-2-5-7(12)4-6(10)8(11)9(5)13/h2-4H,1H3
InChIKeyPGCINZCREHBHBM-UHFFFAOYSA-N
XLogP4.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2-dibromo-4,8-diiodonaphthalene
CID 141193260
7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine
CID 143151628
6-bromo-1,4-dimethylindole
CID 122697922
2-iodo-1-methylpyridin-4-one
CID 143107588
4,6-difluoro-1,7-dimethylindole
CID 129149035
6-bromo-1-methylindol-7-amine
CID 117110630
8-amino-5-bromo-2-methylisoquinolin-1-one
CID 67254174
(7-bromo-1-methylindol-5-yl)methanol
CID 139560764
4-bromo-7-methylpyrrolo[2,3-c]pyridazine
CID 105465688
5-bromo-2-methylisoquinolin-1-one
CID 82388860
5-iodo-2-methylisoquinolin-1-one
CID 70267311
6,7-dibromo-1-methyl-3-phenylindole
CID 102035092

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-4-iodo-1-methylindole?
The IUPAC name of 6,7-dibromo-4-iodo-1-methylindole (CID 125495238) is 6,7-dibromo-4-iodo-1-methylindole.
What is the SMILES notation for 6,7-dibromo-4-iodo-1-methylindole?
The canonical SMILES for 6,7-dibromo-4-iodo-1-methylindole is Cn1ccc2c(I)cc(Br)c(Br)c21.
What is the InChIKey of 6,7-dibromo-4-iodo-1-methylindole?
The InChIKey is PGCINZCREHBHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2IN/c1-13-3-2-5-7(12)4-6(10)8(11)9(5)13/h2-4H,1H3.
What are the key properties of 6,7-dibromo-4-iodo-1-methylindole?
6,7-dibromo-4-iodo-1-methylindole has a molecular weight of 414.87 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-4-iodo-1-methylindole is sourced from PubChem (CID 125495238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).