2-fluoropyridine-4-carbaldehyde

C6H4FNO — CID 2762990

IUPAC2-fluoropyridine-4-carbaldehyde
SMILESO=Cc1ccnc(F)c1
InChIInChI=1S/C6H4FNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
InChIKeyWOLIMEQXFWSBTE-UHFFFAOYSA-N
MW125.10 g/mol
LogP1.03
Rot. Bonds1

About 2-fluoropyridine-4-carbaldehyde

2-fluoropyridine-4-carbaldehyde (PubChem CID 2762990) has the molecular formula C6H4FNO and a molecular weight of 125.10 g/mol. Its IUPAC name is 2-fluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-fluoropyridine-4-carbaldehyde
PubChem CID2762990
Molecular FormulaC6H4FNO
Molecular Weight125.10 g/mol
Exact Mass125.03
IUPAC Name2-fluoropyridine-4-carbaldehyde
SMILESO=Cc1ccnc(F)c1
InChIInChI=1S/C6H4FNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
InChIKeyWOLIMEQXFWSBTE-UHFFFAOYSA-N
XLogP1.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 51.03
H-Bond Donors ≤ 50
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

CID 3767
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CID 10371
CID 10371
CID 9589
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CID 15074
CID 15074
CID 14282
CID 14282
CID 13389
CID 13389
CID 7023019
CID 7023019
CID 5720233
CID 5720233
CID 72967
CID 72967
CID 14141158
CID 14141158
CID 16414246
CID 16414246
CID 10735
CID 10735

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyridine-4-carbaldehyde?
The IUPAC name of 2-fluoropyridine-4-carbaldehyde (CID 2762990) is 2-fluoropyridine-4-carbaldehyde.
What is the SMILES notation for 2-fluoropyridine-4-carbaldehyde?
The canonical SMILES for 2-fluoropyridine-4-carbaldehyde is O=Cc1ccnc(F)c1.
What is the InChIKey of 2-fluoropyridine-4-carbaldehyde?
The InChIKey is WOLIMEQXFWSBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO/c7-6-3-5(4-9)1-2-8-6/h1-4H.
What are the key properties of 2-fluoropyridine-4-carbaldehyde?
2-fluoropyridine-4-carbaldehyde has a molecular weight of 125.10 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyridine-4-carbaldehyde is sourced from PubChem (CID 2762990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).