N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine

C6H7BrN2O — CID 146749341

IUPACN-[(2-bromo-3-pyridinyl)methyl]hydroxylamine
SMILESONCc1cccnc1Br
InChIInChI=1S/C6H7BrN2O/c7-6-5(4-9-10)2-1-3-8-6/h1-3,9-10H,4H2
InChIKeyRMXGMLLCCVALGO-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.32
Rot. Bonds2

About N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine

N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine (PubChem CID 146749341) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-bromo-3-pyridinyl)methyl]hydroxylamine
PubChem CID146749341
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC NameN-[(2-bromo-3-pyridinyl)methyl]hydroxylamine
SMILESONCc1cccnc1Br
InChIInChI=1S/C6H7BrN2O/c7-6-5(4-9-10)2-1-3-8-6/h1-3,9-10H,4H2
InChIKeyRMXGMLLCCVALGO-UHFFFAOYSA-N
XLogP1.32
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3-pyridinyl)ethanol
CID 87594301
2-(2-bromo-3-pyridinyl)acetaldehyde
CID 58138967
2-bromo-3-(methoxymethyl)pyridine;ethane
CID 144882027
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine
CID 143634840
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine?
The IUPAC name of N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine (CID 146749341) is N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine is ONCc1cccnc1Br.
What is the InChIKey of N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine?
The InChIKey is RMXGMLLCCVALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c7-6-5(4-9-10)2-1-3-8-6/h1-3,9-10H,4H2.
What are the key properties of N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine?
N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine has a molecular weight of 203.04 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine is sourced from PubChem (CID 146749341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).