2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole

C11H11BrN2 — CID 130730124

IUPAC2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole
SMILESBrc1ccc2cc([C@@H]3CCN3)[nH]c2c1
InChIInChI=1S/C11H11BrN2/c12-8-2-1-7-5-11(9-3-4-13-9)14-10(7)6-8/h1-2,5-6,9,13-14H,3-4H2/t9-/m0/s1
InChIKeyAFMBFIDXJREJOA-VIFPVBQESA-N
MW251.13 g/mol
LogP2.96
Rot. Bonds1

About 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole

2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole (PubChem CID 130730124) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole
PubChem CID130730124
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole
SMILESBrc1ccc2cc([C@@H]3CCN3)[nH]c2c1
InChIInChI=1S/C11H11BrN2/c12-8-2-1-7-5-11(9-3-4-13-9)14-10(7)6-8/h1-2,5-6,9,13-14H,3-4H2/t9-/m0/s1
InChIKeyAFMBFIDXJREJOA-VIFPVBQESA-N
XLogP2.96
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2S)-azetidin-2-yl]-1H-indol-5-amine
CID 55272809
7-bromo-1H-quinoline-2-thione
CID 102537566
6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole
CID 83489089
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540
2-[(2S)-azetidin-2-yl]-7-methyl-1H-indole
CID 130706625
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
2-(6-bromo-1H-indol-2-yl)propanoic acid
CID 115004482
5-tert-butyl-2-piperidin-2-yl-1H-indole
CID 84636218
N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 171488099
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
CID 22690268
2-[(2S)-azetidin-2-yl]-5-bromopyridine
CID 131039507

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole (CID 130730124) is 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole is Brc1ccc2cc([C@@H]3CCN3)[nH]c2c1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole?
The InChIKey is AFMBFIDXJREJOA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11BrN2/c12-8-2-1-7-5-11(9-3-4-13-9)14-10(7)6-8/h1-2,5-6,9,13-14H,3-4H2/t9-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole?
2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole has a molecular weight of 251.13 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole is sourced from PubChem (CID 130730124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).