2-bromo-2-pyridin-2-ylacetaldehyde

C7H6BrNO — CID 87123192

IUPAC2-bromo-2-pyridin-2-ylacetaldehyde
SMILESO=CC(Br)c1ccccn1
InChIInChI=1S/C7H6BrNO/c8-6(5-10)7-3-1-2-4-9-7/h1-6H
InChIKeyXWCRWCQPKBFFRL-UHFFFAOYSA-N
MW200.04 g/mol
LogP1.72
Rot. Bonds2

About 2-bromo-2-pyridin-2-ylacetaldehyde

2-bromo-2-pyridin-2-ylacetaldehyde (PubChem CID 87123192) has the molecular formula C7H6BrNO and a molecular weight of 200.04 g/mol. Its IUPAC name is 2-bromo-2-pyridin-2-ylacetaldehyde.

Molecular Properties

Compound Name2-bromo-2-pyridin-2-ylacetaldehyde
PubChem CID87123192
Molecular FormulaC7H6BrNO
Molecular Weight200.04 g/mol
Exact Mass198.96
IUPAC Name2-bromo-2-pyridin-2-ylacetaldehyde
SMILESO=CC(Br)c1ccccn1
InChIInChI=1S/C7H6BrNO/c8-6(5-10)7-3-1-2-4-9-7/h1-6H
InChIKeyXWCRWCQPKBFFRL-UHFFFAOYSA-N
XLogP1.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromoprop-2-enyl)pyridine
CID 70499448
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
2-bromo-2-pyrazin-2-ylacetaldehyde
CID 87311321
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-pyridin-2-ylpent-4-ynal
CID 89142381
N-[(1R)-1-pyridin-2-ylethyl]formamide
CID 40637873
2-(1,2-dinitroso-2-pyridin-2-ylethyl)pyridine
CID 56630200
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
2-[(1R)-1-bromo-2-phenylethyl]pyridine
CID 124909068
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-pyridin-2-ylacetaldehyde?
The IUPAC name of 2-bromo-2-pyridin-2-ylacetaldehyde (CID 87123192) is 2-bromo-2-pyridin-2-ylacetaldehyde.
What is the SMILES notation for 2-bromo-2-pyridin-2-ylacetaldehyde?
The canonical SMILES for 2-bromo-2-pyridin-2-ylacetaldehyde is O=CC(Br)c1ccccn1.
What is the InChIKey of 2-bromo-2-pyridin-2-ylacetaldehyde?
The InChIKey is XWCRWCQPKBFFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-6(5-10)7-3-1-2-4-9-7/h1-6H.
What are the key properties of 2-bromo-2-pyridin-2-ylacetaldehyde?
2-bromo-2-pyridin-2-ylacetaldehyde has a molecular weight of 200.04 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-pyridin-2-ylacetaldehyde is sourced from PubChem (CID 87123192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).