2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile

C16H15ClN2O2 — CID 159886636

IUPAC2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
SMILESCCn1c(-c2ccc(OCC#N)cc2C)ccc(Cl)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-3-19-15(7-6-14(17)16(19)20)13-5-4-12(10-11(13)2)21-9-8-18/h4-7,10H,3,9H2,1-2H3
InChIKeyGXTAKDHXXXOOLB-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.40
Rot. Bonds4

About 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile

2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile (PubChem CID 159886636) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
PubChem CID159886636
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
SMILESCCn1c(-c2ccc(OCC#N)cc2C)ccc(Cl)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-3-19-15(7-6-14(17)16(19)20)13-5-4-12(10-11(13)2)21-9-8-18/h4-7,10H,3,9H2,1-2H3
InChIKeyGXTAKDHXXXOOLB-UHFFFAOYSA-N
XLogP3.40
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
CID 158452584
6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
CID 149123787
2-[4-(5-bromo-1-methyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 160578621
2-[4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)-3-methylphenoxy]acetonitrile;yttrium
CID 159088322
3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160891004
3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159666606
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
CID 158306335
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 148519544
2-[3-chloro-4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 161194488
2-[4-(1-ethyl-5-iodo-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 159149420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile?
The IUPAC name of 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile (CID 159886636) is 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile.
What is the SMILES notation for 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile?
The canonical SMILES for 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile is CCn1c(-c2ccc(OCC#N)cc2C)ccc(Cl)c1=O.
What is the InChIKey of 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile?
The InChIKey is GXTAKDHXXXOOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-3-19-15(7-6-14(17)16(19)20)13-5-4-12(10-11(13)2)21-9-8-18/h4-7,10H,3,9H2,1-2H3.
What are the key properties of 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile?
2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile has a molecular weight of 302.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile is sourced from PubChem (CID 159886636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).