2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide

C7H7Br2NO — CID 53406533

IUPAC2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide
SMILESBr.O=CC(Br)c1ccncc1
InChIInChI=1S/C7H6BrNO.BrH/c8-7(5-10)6-1-3-9-4-2-6;/h1-5,7H;1H
InChIKeyAXARGILGJLIXPI-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.29
Rot. Bonds2

About 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide

2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide (PubChem CID 53406533) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide.

Molecular Properties

Compound Name2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide
PubChem CID53406533
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide
SMILESBr.O=CC(Br)c1ccncc1
InChIInChI=1S/C7H6BrNO.BrH/c8-7(5-10)6-1-3-9-4-2-6;/h1-5,7H;1H
InChIKeyAXARGILGJLIXPI-UHFFFAOYSA-N
XLogP2.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.29
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

4-[(1S,2S)-1,2-dibromo-2-pyridin-4-ylethyl]pyridine
CID 129396706
2-pyridin-4-yl-2-[4-(sulfanylmethyl)phenyl]acetaldehyde
CID 140984259
3-pyridin-4-ylpentanedial
CID 21411773
2-bromo-2-(3,4-dihydroxyphenyl)acetaldehyde
CID 90134025
4-[bromo(phenyl)methyl]pyridine
CID 43608201
2-bromo-2-[4-(trifluoromethyl)phenyl]acetaldehyde;methoxyethane
CID 145052147
[amino(pyridin-4-yl)methyl] formate
CID 174789488
2-bromo-2-pyridin-2-ylacetaldehyde
CID 87123192
3-amino-3-pyridin-4-ylprop-1-en-1-one
CID 91806379
2-oxo-3-pyridin-4-yl-3-sulfanylpropanal
CID 174251235
2,3-bis(4-pyridin-4-ylphenyl)butanal
CID 173227084
3-(1-bromo-2-oxoethyl)benzaldehyde
CID 174741180

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide?
The IUPAC name of 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide (CID 53406533) is 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide.
What is the SMILES notation for 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide?
The canonical SMILES for 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide is Br.O=CC(Br)c1ccncc1.
What is the InChIKey of 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide?
The InChIKey is AXARGILGJLIXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO.BrH/c8-7(5-10)6-1-3-9-4-2-6;/h1-5,7H;1H.
What are the key properties of 2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide?
2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide has a molecular weight of 280.95 g/mol, XLogP of 2.29, 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-4-ylacetaldehyde;hydrobromide is sourced from PubChem (CID 53406533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).