6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile

C19H11ClN2O2 — CID 511932

IUPAC6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(Oc2ccc(C(=O)c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C19H11ClN2O2/c20-16-10-11-18(22-17(16)12-21)24-15-8-6-14(7-9-15)19(23)13-4-2-1-3-5-13/h1-11H
InChIKeyYTNRFHFGAWZDHS-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.63
Rot. Bonds4

About 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile

6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile (PubChem CID 511932) has the molecular formula C19H11ClN2O2 and a molecular weight of 334.76 g/mol. Its IUPAC name is 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile
PubChem CID511932
Molecular FormulaC19H11ClN2O2
Molecular Weight334.76 g/mol
Exact Mass334.05
IUPAC Name6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(Oc2ccc(C(=O)c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C19H11ClN2O2/c20-16-10-11-18(22-17(16)12-21)24-15-8-6-14(7-9-15)19(23)13-4-2-1-3-5-13/h1-11H
InChIKeyYTNRFHFGAWZDHS-UHFFFAOYSA-N
XLogP4.63
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 950785
2,6-Dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester
CID 2767155
3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 4-chlorobenzenecarboxylate
CID 2767159
6-(2-Chloro-4-(4-fluorophenoxy)-phenyl)picolinamide
CID 86274037
6-(4-Chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
CID 2765245
3-Cyano-6-(4-methoxyphenyl)-2-pyridinyl 2,6-dichlorobenzenecarboxylate
CID 2767152
(E)-3-(2-chloroquinolin-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 5826415
2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-
CID 511931
2-[2-(4-Methoxyphenyl)-2-oxoethoxy]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2728490
4-(6-Chloro-3-formylquinolin-2-yl)oxybenzonitrile
CID 72199216
(E)-3-(2-chloro-6-fluoro-3-quinolyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 73291912
4-Chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
CID 42624895

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile?
The IUPAC name of 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile (CID 511932) is 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile?
The canonical SMILES for 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile is N#Cc1nc(Oc2ccc(C(=O)c3ccccc3)cc2)ccc1Cl.
What is the InChIKey of 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile?
The InChIKey is YTNRFHFGAWZDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O2/c20-16-10-11-18(22-17(16)12-21)24-15-8-6-14(7-9-15)19(23)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile?
6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile has a molecular weight of 334.76 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile is sourced from PubChem (CID 511932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).