6-(3-fluorophenoxy)pyridine-2-carbaldehyde

C12H8FNO2 — CID 12879152

IUPAC6-(3-fluorophenoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(Oc2cccc(F)c2)n1
InChIInChI=1S/C12H8FNO2/c13-9-3-1-5-11(7-9)16-12-6-2-4-10(8-15)14-12/h1-8H
InChIKeyBXMFONUQIKJPHH-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.83
Rot. Bonds3

About 6-(3-fluorophenoxy)pyridine-2-carbaldehyde

6-(3-fluorophenoxy)pyridine-2-carbaldehyde (PubChem CID 12879152) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(3-fluorophenoxy)pyridine-2-carbaldehyde
PubChem CID12879152
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name6-(3-fluorophenoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(Oc2cccc(F)c2)n1
InChIInChI=1S/C12H8FNO2/c13-9-3-1-5-11(7-9)16-12-6-2-4-10(8-15)14-12/h1-8H
InChIKeyBXMFONUQIKJPHH-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.83
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

2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
4-fluoro-6-(3-fluorophenoxy)pyrimidine
CID 115416111
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
[6-(3-fluorophenoxy)pyrazin-2-yl]methanol
CID 66467083
4-(3-fluorophenoxy)thiophene-2-carbaldehyde
CID 23130605
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
CID 62322532
6-(3-fluorophenoxy)-3-nitropyridine-2-carbonitrile
CID 133499943
6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid
CID 116820280
4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-(3-fluorophenoxy)pyridine-2-carbaldehyde (CID 12879152) is 6-(3-fluorophenoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(3-fluorophenoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(3-fluorophenoxy)pyridine-2-carbaldehyde is O=Cc1cccc(Oc2cccc(F)c2)n1.
What is the InChIKey of 6-(3-fluorophenoxy)pyridine-2-carbaldehyde?
The InChIKey is BXMFONUQIKJPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-9-3-1-5-11(7-9)16-12-6-2-4-10(8-15)14-12/h1-8H.
What are the key properties of 6-(3-fluorophenoxy)pyridine-2-carbaldehyde?
6-(3-fluorophenoxy)pyridine-2-carbaldehyde has a molecular weight of 217.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 12879152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).