3-(bromomethyl)-6-chloro-1H-indole

C9H7BrClN — CID 131288743

IUPAC3-(bromomethyl)-6-chloro-1H-indole
SMILESClc1ccc2c(CBr)c[nH]c2c1
InChIInChI=1S/C9H7BrClN/c10-4-6-5-12-9-3-7(11)1-2-8(6)9/h1-3,5,12H,4H2
InChIKeyMWSFTSIJGIGNKU-UHFFFAOYSA-N
MW244.52 g/mol
LogP3.72
Rot. Bonds1

About 3-(bromomethyl)-6-chloro-1H-indole

3-(bromomethyl)-6-chloro-1H-indole (PubChem CID 131288743) has the molecular formula C9H7BrClN and a molecular weight of 244.52 g/mol. Its IUPAC name is 3-(bromomethyl)-6-chloro-1H-indole.

Molecular Properties

Compound Name3-(bromomethyl)-6-chloro-1H-indole
PubChem CID131288743
Molecular FormulaC9H7BrClN
Molecular Weight244.52 g/mol
Exact Mass242.95
IUPAC Name3-(bromomethyl)-6-chloro-1H-indole
SMILESClc1ccc2c(CBr)c[nH]c2c1
InChIInChI=1S/C9H7BrClN/c10-4-6-5-12-9-3-7(11)1-2-8(6)9/h1-3,5,12H,4H2
InChIKeyMWSFTSIJGIGNKU-UHFFFAOYSA-N
XLogP3.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
CID 117196286
6-chloro-3-(isocyanomethyl)-1H-indole
CID 83483881
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
3-(6-chloro-1H-indol-3-yl)propanenitrile
CID 82396450
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
3-(6-chloro-1H-indol-3-yl)-2-iodopropanoic acid
CID 121353891
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
CID 78968568
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 114107722

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-chloro-1H-indole?
The IUPAC name of 3-(bromomethyl)-6-chloro-1H-indole (CID 131288743) is 3-(bromomethyl)-6-chloro-1H-indole.
What is the SMILES notation for 3-(bromomethyl)-6-chloro-1H-indole?
The canonical SMILES for 3-(bromomethyl)-6-chloro-1H-indole is Clc1ccc2c(CBr)c[nH]c2c1.
What is the InChIKey of 3-(bromomethyl)-6-chloro-1H-indole?
The InChIKey is MWSFTSIJGIGNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN/c10-4-6-5-12-9-3-7(11)1-2-8(6)9/h1-3,5,12H,4H2.
What are the key properties of 3-(bromomethyl)-6-chloro-1H-indole?
3-(bromomethyl)-6-chloro-1H-indole has a molecular weight of 244.52 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-chloro-1H-indole is sourced from PubChem (CID 131288743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).