2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide

C13H11Br2NO — CID 88752920

IUPAC2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
SMILESBr.O=CC(c1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO.BrH/c14-12-5-1-3-10(7-12)13(9-16)11-4-2-6-15-8-11;/h1-9,13H;1H
InChIKeyNHWFKWOMVVFLEV-UHFFFAOYSA-N
MW357.05 g/mol
LogP3.75
Rot. Bonds3

About 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide

2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide (PubChem CID 88752920) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
PubChem CID88752920
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
SMILESBr.O=CC(c1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO.BrH/c14-12-5-1-3-10(7-12)13(9-16)11-4-2-6-15-8-11;/h1-9,13H;1H
InChIKeyNHWFKWOMVVFLEV-UHFFFAOYSA-N
XLogP3.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine
CID 57425763
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
2-(3-bromoanilino)-2-pyridin-3-ylacetic acid
CID 54890309
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
CID 63018745
3-bromopyridine;hydrobromide
CID 67321840
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
CID 69086206
2-(3-bromophenyl)-2-pyridin-1-ium-1-ylacetaldehyde bromide
CID 174551535
3-bromopyridine
CID 143579676

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide?
The IUPAC name of 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide (CID 88752920) is 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide.
What is the SMILES notation for 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide?
The canonical SMILES for 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide is Br.O=CC(c1cccnc1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide?
The InChIKey is NHWFKWOMVVFLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO.BrH/c14-12-5-1-3-10(7-12)13(9-16)11-4-2-6-15-8-11;/h1-9,13H;1H.
What are the key properties of 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide?
2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide has a molecular weight of 357.05 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide is sourced from PubChem (CID 88752920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).