3-bromo-1-methylindole

C9H8BrN — CID 13357736

IUPAC3-bromo-1-methylindole
SMILESCn1cc(Br)c2ccccc21
InChIInChI=1S/C9H8BrN/c1-11-6-8(10)7-4-2-3-5-9(7)11/h2-6H,1H3
InChIKeySAYZMFSSIBFGNW-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.94
Rot. Bonds

About 3-bromo-1-methylindole

3-bromo-1-methylindole (PubChem CID 13357736) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 3-bromo-1-methylindole.

Molecular Properties

Compound Name3-bromo-1-methylindole
PubChem CID13357736
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name3-bromo-1-methylindole
SMILESCn1cc(Br)c2ccccc21
InChIInChI=1S/C9H8BrN/c1-11-6-8(10)7-4-2-3-5-9(7)11/h2-6H,1H3
InChIKeySAYZMFSSIBFGNW-UHFFFAOYSA-N
XLogP2.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-1-methylquinolin-4-one
CID 23279589
1-methyl-3-(1-methylindol-3-yl)selanylindole
CID 621312
1-methyl-3-propan-2-ylindole
CID 10942942
3-bromo-1-sulfanylindole
CID 130183431
3-bromo-5-methoxy-1-methylindole
CID 67003649
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-methylindole-3-sulfonamide
CID 18331867
triethyl-(1-methylindol-3-yl)silane
CID 90095223
3-(2-bromoethyl)-1-methylindole
CID 13153306
3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
3-[(2-bromophenyl)sulfanylmethyl]-1-methylindole
CID 138982325
3-(1-chloroethyl)-1-methylindole
CID 174876256

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylindole?
The IUPAC name of 3-bromo-1-methylindole (CID 13357736) is 3-bromo-1-methylindole.
What is the SMILES notation for 3-bromo-1-methylindole?
The canonical SMILES for 3-bromo-1-methylindole is Cn1cc(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-methylindole?
The InChIKey is SAYZMFSSIBFGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-11-6-8(10)7-4-2-3-5-9(7)11/h2-6H,1H3.
What are the key properties of 3-bromo-1-methylindole?
3-bromo-1-methylindole has a molecular weight of 210.07 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylindole is sourced from PubChem (CID 13357736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).