2,3-dibromo-1-methylindole

C9H7Br2N — CID 625790

IUPAC2,3-dibromo-1-methylindole
SMILESCn1c(Br)c(Br)c2ccccc21
InChIInChI=1S/C9H7Br2N/c1-12-7-5-3-2-4-6(7)8(10)9(12)11/h2-5H,1H3
InChIKeyMWRDZPAXOBHQJE-UHFFFAOYSA-N
MW288.97 g/mol
LogP3.70
Rot. Bonds

About 2,3-dibromo-1-methylindole

2,3-dibromo-1-methylindole (PubChem CID 625790) has the molecular formula C9H7Br2N and a molecular weight of 288.97 g/mol. Its IUPAC name is 2,3-dibromo-1-methylindole.

Molecular Properties

Compound Name2,3-dibromo-1-methylindole
PubChem CID625790
Molecular FormulaC9H7Br2N
Molecular Weight288.97 g/mol
Exact Mass286.89
IUPAC Name2,3-dibromo-1-methylindole
SMILESCn1c(Br)c(Br)c2ccccc21
InChIInChI=1S/C9H7Br2N/c1-12-7-5-3-2-4-6(7)8(10)9(12)11/h2-5H,1H3
InChIKeyMWRDZPAXOBHQJE-UHFFFAOYSA-N
XLogP3.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-methylindole?
The IUPAC name of 2,3-dibromo-1-methylindole (CID 625790) is 2,3-dibromo-1-methylindole.
What is the SMILES notation for 2,3-dibromo-1-methylindole?
The canonical SMILES for 2,3-dibromo-1-methylindole is Cn1c(Br)c(Br)c2ccccc21.
What is the InChIKey of 2,3-dibromo-1-methylindole?
The InChIKey is MWRDZPAXOBHQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N/c1-12-7-5-3-2-4-6(7)8(10)9(12)11/h2-5H,1H3.
What are the key properties of 2,3-dibromo-1-methylindole?
2,3-dibromo-1-methylindole has a molecular weight of 288.97 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-methylindole is sourced from PubChem (CID 625790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).