2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile

C17H16N2O2 — CID 91443425

IUPAC2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(-c2c(C)cc(C)cc2C)c(=O)c1=C
InChIInChI=1S/C17H16N2O2/c1-9-6-10(2)15(11(3)7-9)19-16(20)13(5)12(4)14(8-18)17(19)21/h6-7,21H,4-5H2,1-3H3
InChIKeyBTBCZYHWYSKGOH-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.16
Rot. Bonds1

About 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile

2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile (PubChem CID 91443425) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile
PubChem CID91443425
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(-c2c(C)cc(C)cc2C)c(=O)c1=C
InChIInChI=1S/C17H16N2O2/c1-9-6-10(2)15(11(3)7-9)19-16(20)13(5)12(4)14(8-18)17(19)21/h6-7,21H,4-5H2,1-3H3
InChIKeyBTBCZYHWYSKGOH-UHFFFAOYSA-N
XLogP1.16
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
CID 91209185
(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
CID 123751311
N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide
CID 139821501
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
CID 84625068
1-(2,4-dimethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117088
1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888652
1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 139629140
N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetamide
CID 139660865
1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 19688388
1-cyclopropyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 84662487
iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile
CID 155646358
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile (CID 91443425) is 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile is C=c1c(C#N)c(O)n(-c2c(C)cc(C)cc2C)c(=O)c1=C.
What is the InChIKey of 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile?
The InChIKey is BTBCZYHWYSKGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-9-6-10(2)15(11(3)7-9)19-16(20)13(5)12(4)14(8-18)17(19)21/h6-7,21H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile?
2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 91443425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).