2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile

C13H8Cl2N2O — CID 133093069

IUPAC2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1cc(-c2ccc(Cl)cc2Cl)c[nH]c1=O
InChIInChI=1S/C13H8Cl2N2O/c14-10-1-2-11(12(15)6-10)9-5-8(3-4-16)13(18)17-7-9/h1-2,5-7H,3H2,(H,17,18)
InChIKeyXCCSNAQUXWJVJX-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.41
Rot. Bonds2

About 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile

2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile (PubChem CID 133093069) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
PubChem CID133093069
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1cc(-c2ccc(Cl)cc2Cl)c[nH]c1=O
InChIInChI=1S/C13H8Cl2N2O/c14-10-1-2-11(12(15)6-10)9-5-8(3-4-16)13(18)17-7-9/h1-2,5-7H,3H2,(H,17,18)
InChIKeyXCCSNAQUXWJVJX-UHFFFAOYSA-N
XLogP3.41
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(3,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133092843
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093162
3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 133093059
methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093032
2-[2-oxo-3-(2,4,6-trichlorophenyl)-1H-pyridin-4-yl]acetonitrile
CID 133092382
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
CID 123499878
2-[5-(2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 131870022

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile (CID 133093069) is 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile is N#CCc1cc(-c2ccc(Cl)cc2Cl)c[nH]c1=O.
What is the InChIKey of 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The InChIKey is XCCSNAQUXWJVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c14-10-1-2-11(12(15)6-10)9-5-8(3-4-16)13(18)17-7-9/h1-2,5-7H,3H2,(H,17,18).
What are the key properties of 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile has a molecular weight of 279.13 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile is sourced from PubChem (CID 133093069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).