3-(4-bromo-2-pyridinyl)propanal

C8H8BrNO — CID 158046658

IUPAC3-(4-bromo-2-pyridinyl)propanal
SMILESO=CCCc1cc(Br)ccn1
InChIInChI=1S/C8H8BrNO/c9-7-3-4-10-8(6-7)2-1-5-11/h3-6H,1-2H2
InChIKeyFYAUSZZZJOPVDJ-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.98
Rot. Bonds3

About 3-(4-bromo-2-pyridinyl)propanal

3-(4-bromo-2-pyridinyl)propanal (PubChem CID 158046658) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 3-(4-bromo-2-pyridinyl)propanal.

Molecular Properties

Compound Name3-(4-bromo-2-pyridinyl)propanal
PubChem CID158046658
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name3-(4-bromo-2-pyridinyl)propanal
SMILESO=CCCc1cc(Br)ccn1
InChIInChI=1S/C8H8BrNO/c9-7-3-4-10-8(6-7)2-1-5-11/h3-6H,1-2H2
InChIKeyFYAUSZZZJOPVDJ-UHFFFAOYSA-N
XLogP1.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.98
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

2-(4-bromo-2-pyridinyl)acetaldehyde
CID 53403630
3-(4-bromo-2-pyridinyl)propanamide
CID 68521995
(4-bromo-2-pyridinyl)methanol
CID 14761462
4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol
CID 161357526
N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide
CID 90008913
(4-bromo-2-pyridinyl)methyl methanesulfonate
CID 130121695
4-bromo-2-(2-methylsulfonylpropyl)pyridine
CID 70819111
2-(azetidin-1-ylmethyl)-4-bromopyridine
CID 105484341
4-bromo-2-(piperidin-1-ylmethyl)pyridine
CID 91754381
2,4-dibromopyridine
CID 817104
3-amino-1,1-bis[(4-bromo-2-pyridinyl)methyl]urea
CID 175542531
2-(4-chloro-2-pyridinyl)ethyl formate
CID 174481007

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-pyridinyl)propanal?
The IUPAC name of 3-(4-bromo-2-pyridinyl)propanal (CID 158046658) is 3-(4-bromo-2-pyridinyl)propanal.
What is the SMILES notation for 3-(4-bromo-2-pyridinyl)propanal?
The canonical SMILES for 3-(4-bromo-2-pyridinyl)propanal is O=CCCc1cc(Br)ccn1.
What is the InChIKey of 3-(4-bromo-2-pyridinyl)propanal?
The InChIKey is FYAUSZZZJOPVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-7-3-4-10-8(6-7)2-1-5-11/h3-6H,1-2H2.
What are the key properties of 3-(4-bromo-2-pyridinyl)propanal?
3-(4-bromo-2-pyridinyl)propanal has a molecular weight of 214.06 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-pyridinyl)propanal is sourced from PubChem (CID 158046658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).