1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile

C10H12N2O2 — CID 90395543

IUPAC1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile
SMILESCC(C)(C)n1ccc(O)c(C#N)c1=O
InChIInChI=1S/C10H12N2O2/c1-10(2,3)12-5-4-8(13)7(6-11)9(12)14/h4-5,13H,1-3H3
InChIKeyYZKOVNRUTSATFC-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.18
Rot. Bonds

About 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile

1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile (PubChem CID 90395543) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile
PubChem CID90395543
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile
SMILESCC(C)(C)n1ccc(O)c(C#N)c1=O
InChIInChI=1S/C10H12N2O2/c1-10(2,3)12-5-4-8(13)7(6-11)9(12)14/h4-5,13H,1-3H3
InChIKeyYZKOVNRUTSATFC-UHFFFAOYSA-N
XLogP1.18
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 54686421
4-Hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)-1,2-dihydropyridine-3-carbonitrile
CID 118690593
1-(3,3-Dimethylbutyl)-4-hydroxy-2-oxopyridine-3-carbonitrile
CID 57604741
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
CID 59234228
1-Cyclopropylmethyl-4-hydroxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
CID 59234237
1-(2-Cyclopropyl-ethyl)-4-hydroxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
CID 59272911
4-Hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 59391333
1-Tert-butyl-4-methoxy-2-oxopyridine-3-carbonitrile
CID 90395539
1-(Sec-butyl)-4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 117770038
1-Cyclopropyl-4-hydroxy-3-methylpyridin-2-one
CID 152126993
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 71384554
1-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 82111417

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile (CID 90395543) is 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile is CC(C)(C)n1ccc(O)c(C#N)c1=O.
What is the InChIKey of 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile?
The InChIKey is YZKOVNRUTSATFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-10(2,3)12-5-4-8(13)7(6-11)9(12)14/h4-5,13H,1-3H3.
What are the key properties of 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile?
1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 90395543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).