7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine

C9H9BrN2O — CID 90061297

IUPAC7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine
SMILESC=C1COCc2cc(Br)cnc2N1
InChIInChI=1S/C9H9BrN2O/c1-6-4-13-5-7-2-8(10)3-11-9(7)12-6/h2-3H,1,4-5H2,(H,11,12)
InChIKeyLNILYWQPVFGJRU-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.30
Rot. Bonds

About 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine

7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine (PubChem CID 90061297) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine.

Molecular Properties

Compound Name7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine
PubChem CID90061297
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine
SMILESC=C1COCc2cc(Br)cnc2N1
InChIInChI=1S/C9H9BrN2O/c1-6-4-13-5-7-2-8(10)3-11-9(7)12-6/h2-3H,1,4-5H2,(H,11,12)
InChIKeyLNILYWQPVFGJRU-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
CID 155892914
6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 22139127
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
CID 59332894
5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate
CID 158304742
7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carbaldehyde
CID 144843933
5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine
CID 158300570
CID 140659181
CID 140659181
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 51893478
6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 167219968
CID 90143075
CID 90143075
2-(7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-4-yl)acetic acid;hydrochloride
CID 66967063
7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one
CID 115293397

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine?
The IUPAC name of 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine (CID 90061297) is 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine.
What is the SMILES notation for 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine?
The canonical SMILES for 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine is C=C1COCc2cc(Br)cnc2N1.
What is the InChIKey of 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine?
The InChIKey is LNILYWQPVFGJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-6-4-13-5-7-2-8(10)3-11-9(7)12-6/h2-3H,1,4-5H2,(H,11,12).
What are the key properties of 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine?
7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine has a molecular weight of 241.09 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylidene-1,5-dihydropyrido[2,3-e][1,4]oxazepine is sourced from PubChem (CID 90061297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).