4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C19H12Cl2N2O2 — CID 168586114

IUPAC4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H12Cl2N2O2/c1-11-8-15(16(10-22)19(24)23-11)12-2-5-14(6-3-12)25-18-7-4-13(20)9-17(18)21/h2-9H,1H3,(H,23,24)
InChIKeyTXXUNWOPPLMNBJ-UHFFFAOYSA-N
MW371.22 g/mol
LogP5.32
Rot. Bonds3

About 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586114) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586114
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C19H12Cl2N2O2/c1-11-8-15(16(10-22)19(24)23-11)12-2-5-14(6-3-12)25-18-7-4-13(20)9-17(18)21/h2-9H,1H3,(H,23,24)
InChIKeyTXXUNWOPPLMNBJ-UHFFFAOYSA-N
XLogP5.32
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586891
4-(3-chloro-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587004
4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584720
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 168586584
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987
4-(3-chloro-4-pentoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585088
4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587062
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586865
4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584699
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586114) is 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is TXXUNWOPPLMNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c1-11-8-15(16(10-22)19(24)23-11)12-2-5-14(6-3-12)25-18-7-4-13(20)9-17(18)21/h2-9H,1H3,(H,23,24).
What are the key properties of 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 371.22 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).