6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile

C16H13ClN2O2 — CID 82517210

IUPAC6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(Cl)cc1-c1ccc(C#N)c(=O)n1C1CC1
InChIInChI=1S/C16H13ClN2O2/c1-21-15-7-3-11(17)8-13(15)14-6-2-10(9-18)16(20)19(14)12-4-5-12/h2-3,6-8,12H,4-5H2,1H3
InChIKeyBAMCYCSXPSBYAZ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.38
Rot. Bonds3

About 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile

6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile (PubChem CID 82517210) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
PubChem CID82517210
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(Cl)cc1-c1ccc(C#N)c(=O)n1C1CC1
InChIInChI=1S/C16H13ClN2O2/c1-21-15-7-3-11(17)8-13(15)14-6-2-10(9-18)16(20)19(14)12-4-5-12/h2-3,6-8,12H,4-5H2,1H3
InChIKeyBAMCYCSXPSBYAZ-UHFFFAOYSA-N
XLogP3.38
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
CID 152716565
6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile
CID 82146980
4-chloro-2-[3-(ethylamino)-2-oxopyrrolidin-1-yl]benzonitrile
CID 64919655
3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
CID 82517234
4-chloro-2-[(2-chloro-5-methoxy-6-oxopyrimidin-1-yl)methyl]benzonitrile
CID 129127751
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215
4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
CID 135270547
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
CID 82517220
6-(3,4-dimethoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carbonitrile
CID 82099327
5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
CID 65340659

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile (CID 82517210) is 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile is COc1ccc(Cl)cc1-c1ccc(C#N)c(=O)n1C1CC1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile?
The InChIKey is BAMCYCSXPSBYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-15-7-3-11(17)8-13(15)14-6-2-10(9-18)16(20)19(14)12-4-5-12/h2-3,6-8,12H,4-5H2,1H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile?
6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile has a molecular weight of 300.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82517210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).