2-(3-fluoro-4-pyridinyl)acetaldehyde

C7H6FNO — CID 87110960

IUPAC2-(3-fluoro-4-pyridinyl)acetaldehyde
SMILESO=CCc1ccncc1F
InChIInChI=1S/C7H6FNO/c8-7-5-9-3-1-6(7)2-4-10/h1,3-5H,2H2
InChIKeyGQPXJTQKDHMVPE-UHFFFAOYSA-N
MW139.13 g/mol
LogP0.96
Rot. Bonds2

About 2-(3-fluoro-4-pyridinyl)acetaldehyde

2-(3-fluoro-4-pyridinyl)acetaldehyde (PubChem CID 87110960) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)acetaldehyde
PubChem CID87110960
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name2-(3-fluoro-4-pyridinyl)acetaldehyde
SMILESO=CCc1ccncc1F
InChIInChI=1S/C7H6FNO/c8-7-5-9-3-1-6(7)2-4-10/h1,3-5H,2H2
InChIKeyGQPXJTQKDHMVPE-UHFFFAOYSA-N
XLogP0.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 50.96
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-(aminomethyl)-3-pyridinyl]acetaldehyde
CID 174050696
3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
(3-fluoro-4-pyridinyl)methanesulfonyl chloride
CID 84677272
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
3-fluoropyridine-4-carbaldehyde;hydrofluoride
CID 74891092
4-(3-bromopropyl)-3-fluoropyridine
CID 104739099
2-pyridin-4-ylacetaldehyde
CID 18688704
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)acetaldehyde?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)acetaldehyde (CID 87110960) is 2-(3-fluoro-4-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)acetaldehyde is O=CCc1ccncc1F.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)acetaldehyde?
The InChIKey is GQPXJTQKDHMVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO/c8-7-5-9-3-1-6(7)2-4-10/h1,3-5H,2H2.
What are the key properties of 2-(3-fluoro-4-pyridinyl)acetaldehyde?
2-(3-fluoro-4-pyridinyl)acetaldehyde has a molecular weight of 139.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)acetaldehyde is sourced from PubChem (CID 87110960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).