N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine

C9H7BrN2O — CID 171488099

IUPACN-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
SMILESON=Cc1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C9H7BrN2O/c10-7-2-1-6-3-8(5-11-13)12-9(6)4-7/h1-5,12-13H
InChIKeyIPKVBUSGURJVNV-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.74
Rot. Bonds1

About N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine

N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine (PubChem CID 171488099) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
PubChem CID171488099
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC NameN-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
SMILESON=Cc1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C9H7BrN2O/c10-7-2-1-6-3-8(5-11-13)12-9(6)4-7/h1-5,12-13H
InChIKeyIPKVBUSGURJVNV-UHFFFAOYSA-N
XLogP2.74
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 136963509
N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 137199838
N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine
CID 137199836
5-[(E)-2-(6-bromo-1H-indol-2-yl)ethenyl]-2-chlorophenol
CID 129125365
6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole
CID 130276818
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
CID 22690268
7-bromo-1H-quinoline-2-thione
CID 102537566
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 3581077
(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 90156005
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile
CID 136927852

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine (CID 171488099) is N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine is ON=Cc1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine?
The InChIKey is IPKVBUSGURJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-2-1-6-3-8(5-11-13)12-9(6)4-7/h1-5,12-13H.
What are the key properties of N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine?
N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine has a molecular weight of 239.07 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 171488099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).