2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine

C12H11BrN2O — CID 70697609

IUPAC2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine
SMILESBrc1ccc2cc(C3=NCCCO3)[nH]c2c1
InChIInChI=1S/C12H11BrN2O/c13-9-3-2-8-6-11(15-10(8)7-9)12-14-4-1-5-16-12/h2-3,6-7,15H,1,4-5H2
InChIKeyGWBGRMJHMGMYLV-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.10
Rot. Bonds1

About 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine

2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 70697609) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID70697609
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine
SMILESBrc1ccc2cc(C3=NCCCO3)[nH]c2c1
InChIInChI=1S/C12H11BrN2O/c13-9-3-2-8-6-11(15-10(8)7-9)12-14-4-1-5-16-12/h2-3,6-7,15H,1,4-5H2
InChIKeyGWBGRMJHMGMYLV-UHFFFAOYSA-N
XLogP3.10
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-bromo-1H-indol-2-yl)methanol
CID 13567957
1-(3-Bromophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 76281775
5-Bromo-2-(hydroxymethyl)indole
CID 13567955
(1R,2R)-1-[6-bromo-3-[2-(dimethylamino)ethyl]-1H-indol-2-yl]-1-methoxy-3-methylbutane-2,3-diol
CID 162649605
4-(6-bromospiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)butanenitrile
CID 172437613
6-bromo-1'-(oxan-2-ylmethyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
CID 172438479
1,3,4,9-Tetrahydropyrano(3,4-b)indole
CID 18945528
1-Methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 67984129
1-(2-Bromo-4-fluorophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 172635542
1H-indol-2-ylmethyl acetate
CID 12331459
2-(methoxymethyl)-1H-indole
CID 12554057
2-Indolyloxazoline
CID 18960378

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine (CID 70697609) is 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine is Brc1ccc2cc(C3=NCCCO3)[nH]c2c1.
What is the InChIKey of 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is GWBGRMJHMGMYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-9-3-2-8-6-11(15-10(8)7-9)12-14-4-1-5-16-12/h2-3,6-7,15H,1,4-5H2.
What are the key properties of 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine?
2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 279.14 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 70697609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).