2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile

C13H7FN2O2 — CID 86724179

IUPAC2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile
SMILESN#Cc1cc(C=O)ccc1Oc1cncc(F)c1
InChIInChI=1S/C13H7FN2O2/c14-11-4-12(7-16-6-11)18-13-2-1-9(8-17)3-10(13)5-15/h1-4,6-8H
InChIKeyVNARKOHJEFLWFG-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.70
Rot. Bonds3

About 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile

2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile (PubChem CID 86724179) has the molecular formula C13H7FN2O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile
PubChem CID86724179
Molecular FormulaC13H7FN2O2
Molecular Weight242.21 g/mol
Exact Mass242.05
IUPAC Name2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile
SMILESN#Cc1cc(C=O)ccc1Oc1cncc(F)c1
InChIInChI=1S/C13H7FN2O2/c14-11-4-12(7-16-6-11)18-13-2-1-9(8-17)3-10(13)5-15/h1-4,6-8H
InChIKeyVNARKOHJEFLWFG-UHFFFAOYSA-N
XLogP2.70
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Pyridin-2-ylmethoxy)benzaldehyde
CID 759667
Pyridin-3-yl 4-ethoxybenzoate
CID 168284632
5-(Benzyloxy)pyridine-2-carbaldehyde
CID 12397254
1-[3-(4-Fluorophenyl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone
CID 145988260
3-Pyridinyl 4-fluorobenzoate
CID 723536
4-(Pyridin-3-yloxy)benzaldehyde
CID 4677419
Methyl 4-(pyridin-3-yloxy)benzoate
CID 47002921
2-[(5-Chloropyridin-3-yl)oxy]-5-fluorobenzaldehyde
CID 64601385
2-Fluoro-1-phenyl-2-pyridin-3-yloxyethanone
CID 162404420
3-(6-fluoro-5-methoxy-3-pyridinyl)-N-methylbenzamide
CID 176431958
5-(Benzyloxy)nicotinaldehyde
CID 11218133
4-(Pyridin-4-ylmethoxy)benzaldehyde
CID 14042780

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile (CID 86724179) is 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile is N#Cc1cc(C=O)ccc1Oc1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile?
The InChIKey is VNARKOHJEFLWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O2/c14-11-4-12(7-16-6-11)18-13-2-1-9(8-17)3-10(13)5-15/h1-4,6-8H.
What are the key properties of 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile?
2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile has a molecular weight of 242.21 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)oxy]-5-formylbenzonitrile is sourced from PubChem (CID 86724179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).