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

C14H9FN2O2 — CID 90249189

IUPAC2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile
SMILESN#Cc1cc(C=O)ccc1Oc1cncc(CF)c1
InChIInChI=1S/C14H9FN2O2/c15-5-11-4-13(8-17-7-11)19-14-2-1-10(9-18)3-12(14)6-16/h1-4,7-9H,5H2
InChIKeyTVJRDEGBFDXUGM-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.03
Rot. Bonds4

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

2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile (PubChem CID 90249189) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile.

Molecular Properties

Compound Name2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile
PubChem CID90249189
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile
SMILESN#Cc1cc(C=O)ccc1Oc1cncc(CF)c1
InChIInChI=1S/C14H9FN2O2/c15-5-11-4-13(8-17-7-11)19-14-2-1-10(9-18)3-12(14)6-16/h1-4,7-9H,5H2
InChIKeyTVJRDEGBFDXUGM-UHFFFAOYSA-N
XLogP3.03
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.03
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
2-(Pyridin-2-ylmethoxy)benzaldehyde
CID 771116
4-(Pyridin-3-ylmethoxy)benzaldehyde
CID 819480
3-Pyridinyl 4-methoxybenzoate
CID 1120962
Pyridin-3-yl 4-ethoxybenzoate
CID 168284632
Pyridin-3-yl 4-butoxybenzoate
CID 4621376
5-(Benzyloxy)pyridine-2-carbaldehyde
CID 12397254
1-[3-(4-Fluorophenyl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone
CID 145988260
1-[3-Phenyl-4-(pyridin-2-ylmethoxy)phenyl]ethanone
CID 145989230
3-Pyridinyl 4-fluorobenzoate
CID 723536
4-(Pyridin-3-yloxy)benzaldehyde
CID 4677419
Methyl 4-(pyridin-3-yloxy)benzoate
CID 47002921

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile?
The IUPAC name of 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile (CID 90249189) is 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile.
What is the SMILES notation for 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile?
The canonical SMILES for 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile is N#Cc1cc(C=O)ccc1Oc1cncc(CF)c1.
What is the InChIKey of 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile?
The InChIKey is TVJRDEGBFDXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-5-11-4-13(8-17-7-11)19-14-2-1-10(9-18)3-12(14)6-16/h1-4,7-9H,5H2.
What are the key properties of 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile?
2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile has a molecular weight of 256.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(fluoromethyl)-3-pyridinyl]oxy]-5-formylbenzonitrile is sourced from PubChem (CID 90249189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).