6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile

C14H10Cl2N2O2 — CID 10709981

IUPAC6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile
SMILESCN(C)c1cc(-c2ccc(Cl)c(Cl)c2)oc(=O)c1C#N
InChIInChI=1S/C14H10Cl2N2O2/c1-18(2)12-6-13(20-14(19)9(12)7-17)8-3-4-10(15)11(16)5-8/h3-6H,1-2H3
InChIKeyWUUQHASKCAMSII-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.55
Rot. Bonds2

About 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile

6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile (PubChem CID 10709981) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile
PubChem CID10709981
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile
SMILESCN(C)c1cc(-c2ccc(Cl)c(Cl)c2)oc(=O)c1C#N
InChIInChI=1S/C14H10Cl2N2O2/c1-18(2)12-6-13(20-14(19)9(12)7-17)8-3-4-10(15)11(16)5-8/h3-6H,1-2H3
InChIKeyWUUQHASKCAMSII-UHFFFAOYSA-N
XLogP3.55
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile?
The IUPAC name of 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile (CID 10709981) is 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile?
The canonical SMILES for 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile is CN(C)c1cc(-c2ccc(Cl)c(Cl)c2)oc(=O)c1C#N.
What is the InChIKey of 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile?
The InChIKey is WUUQHASKCAMSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c1-18(2)12-6-13(20-14(19)9(12)7-17)8-3-4-10(15)11(16)5-8/h3-6H,1-2H3.
What are the key properties of 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile?
6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile has a molecular weight of 309.15 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile is sourced from PubChem (CID 10709981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).