1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde

C13H10FNO2 — CID 96600000

IUPAC1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1cccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C13H10FNO2/c14-12-5-1-3-10(7-12)8-15-6-2-4-11(9-16)13(15)17/h1-7,9H,8H2
InChIKeyIVTJTTNLOFYZDQ-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.85
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde

1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde (PubChem CID 96600000) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
PubChem CID96600000
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1cccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C13H10FNO2/c14-12-5-1-3-10(7-12)8-15-6-2-4-11(9-16)13(15)17/h1-7,9H,8H2
InChIKeyIVTJTTNLOFYZDQ-UHFFFAOYSA-N
XLogP1.85
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286783
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one
CID 174481544
3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one
CID 115646822
5-bromo-1-[(3-fluorophenyl)methyl]indole-3-carbaldehyde
CID 4517038
3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one
CID 105403383
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
CID 71201156
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
CID 30859523

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde (CID 96600000) is 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde is O=Cc1cccn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde?
The InChIKey is IVTJTTNLOFYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-5-1-3-10(7-12)8-15-6-2-4-11(9-16)13(15)17/h1-7,9H,8H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde?
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde has a molecular weight of 231.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 96600000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).