(6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine

C8H8BrN3O — CID 91619882

IUPAC(6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine
SMILESNNC1=Nc2cc(Br)ccc2OC1
InChIInChI=1S/C8H8BrN3O/c9-5-1-2-7-6(3-5)11-8(12-10)4-13-7/h1-3H,4,10H2,(H,11,12)
InChIKeyHQUXJQWIHTWAOK-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.33
Rot. Bonds

About (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine

(6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine (PubChem CID 91619882) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine.

Molecular Properties

Compound Name(6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine
PubChem CID91619882
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name(6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine
SMILESNNC1=Nc2cc(Br)ccc2OC1
InChIInChI=1S/C8H8BrN3O/c9-5-1-2-7-6(3-5)11-8(12-10)4-13-7/h1-3H,4,10H2,(H,11,12)
InChIKeyHQUXJQWIHTWAOK-UHFFFAOYSA-N
XLogP1.33
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine
CID 71150596
3-(3-bromophenyl)-2H-1,4-benzoxazine
CID 57325803
(8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine
CID 46900144
8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine
CID 23733727
6-bromo-2,2,3,3-tetradeuterio-1,4-benzodioxine
CID 137498464
N'-(6-amino-7-methyl-2H-1,4-benzoxazin-3-yl)propanehydrazide
CID 123810649
3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol
CID 115030561
6-bromo-3-iodo-4-phenyl-2H-chromene
CID 139048251
5,28-dibromo-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3(8),4,6,9,14,16,18,23,25(30),26,28-tridecaene
CID 568887
9-bromo-5H-chromeno[4,3-d]pyrimidine
CID 84710966
[(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 107948484
(NE)-N-[1-[(3S)-5-bromo-2,3-dihydro-1-benzofuran-3-yl]ethylidene]hydroxylamine
CID 98288279

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine?
The IUPAC name of (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine (CID 91619882) is (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine.
What is the SMILES notation for (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine?
The canonical SMILES for (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine is NNC1=Nc2cc(Br)ccc2OC1.
What is the InChIKey of (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine?
The InChIKey is HQUXJQWIHTWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-5-1-2-7-6(3-5)11-8(12-10)4-13-7/h1-3H,4,10H2,(H,11,12).
What are the key properties of (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine?
(6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine has a molecular weight of 242.08 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine is sourced from PubChem (CID 91619882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).