2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde

C6H4FNO2 — CID 130781613

IUPAC2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(F)[nH]ccc1=O
InChIInChI=1S/C6H4FNO2/c7-6-4(3-9)5(10)1-2-8-6/h1-3H,(H,8,10)
InChIKeyIZYKVVPXGBVUNS-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.33
Rot. Bonds1

About 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde

2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 130781613) has the molecular formula C6H4FNO2 and a molecular weight of 141.10 g/mol. Its IUPAC name is 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde
PubChem CID130781613
Molecular FormulaC6H4FNO2
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(F)[nH]ccc1=O
InChIInChI=1S/C6H4FNO2/c7-6-4(3-9)5(10)1-2-8-6/h1-3H,(H,8,10)
InChIKeyIZYKVVPXGBVUNS-UHFFFAOYSA-N
XLogP0.33
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde
CID 91619062
2,3,5,6-tetrafluoroterephthalaldehyde
CID 10420501
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde
CID 25231976
5,6,7-trifluoro-1H-quinolin-4-one
CID 62813764
3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
CID 53412536
2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 130894723
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
2-ethenyl-3-fluoro-1H-pyrrole
CID 155724901
2-fluoro-3,6-dihydroxybenzaldehyde
CID 84763685
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde (CID 130781613) is 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(F)[nH]ccc1=O.
What is the InChIKey of 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is IZYKVVPXGBVUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2/c7-6-4(3-9)5(10)1-2-8-6/h1-3H,(H,8,10).
What are the key properties of 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde?
2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 141.10 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130781613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).