2-(4-benzoylphenoxy)pyridine-3-carbonitrile

C19H12N2O2 — CID 511933

IUPAC2-(4-benzoylphenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H12N2O2/c20-13-16-7-4-12-21-19(16)23-17-10-8-15(9-11-17)18(22)14-5-2-1-3-6-14/h1-12H
InChIKeyQAMFDBJLVGELAG-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-benzoylphenoxy)pyridine-3-carbonitrile

2-(4-benzoylphenoxy)pyridine-3-carbonitrile (PubChem CID 511933) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)pyridine-3-carbonitrile
PubChem CID511933
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name2-(4-benzoylphenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H12N2O2/c20-13-16-7-4-12-21-19(16)23-17-10-8-15(9-11-17)18(22)14-5-2-1-3-6-14/h1-12H
InChIKeyQAMFDBJLVGELAG-UHFFFAOYSA-N
XLogP3.98
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
4-ethoxy-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411787
2-Phenyl-3-pyridin-4-ylmethylene-chroman-4-one
CID 6116651
(3E)-2-phenyl-3-(pyridin-4-ylmethylidene)chromen-4-one
CID 44266353
2-Pyridin-3-ylchromen-4-one
CID 241786
Cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
CID 162643335
(4-Fluorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
CID 162646656

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-benzoylphenoxy)pyridine-3-carbonitrile (CID 511933) is 2-(4-benzoylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-benzoylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-benzoylphenoxy)pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)pyridine-3-carbonitrile?
The InChIKey is QAMFDBJLVGELAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c20-13-16-7-4-12-21-19(16)23-17-10-8-15(9-11-17)18(22)14-5-2-1-3-6-14/h1-12H.
What are the key properties of 2-(4-benzoylphenoxy)pyridine-3-carbonitrile?
2-(4-benzoylphenoxy)pyridine-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 511933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).