3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid

C10H13NO3 — CID 82400523

IUPAC3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCC(C)(C)c1c(C(=O)O)cc[nH]c1=O
InChIInChI=1S/C10H13NO3/c1-10(2,3)7-6(9(13)14)4-5-11-8(7)12/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyAKSYDVLRKLYFNF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.37
Rot. Bonds1

About 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid

3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 82400523) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID82400523
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCC(C)(C)c1c(C(=O)O)cc[nH]c1=O
InChIInChI=1S/C10H13NO3/c1-10(2,3)7-6(9(13)14)4-5-11-8(7)12/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyAKSYDVLRKLYFNF-UHFFFAOYSA-N
XLogP1.37
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
CID 46314978
2,3-ditert-butyl-4-methylbenzoic acid
CID 141044713
3-cyano-2-oxo-1H-pyridine-4-carboxylic acid
CID 82415014
2-oxo-3-(2,3,4,5,6-pentachlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092135
2,3-ditert-butylbenzoic acid
CID 19875149
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53412873
4-amino-2-tert-butyl-3-fluorobenzoic acid
CID 118007713
2-(dihydroxymethyl)-1H-pyrrole-3-carboxylic acid
CID 57196236
2-tert-butyl-3-(4-methylphenyl)benzoic acid
CID 67187247
2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid
CID 96624791
3-methyl-4-propanoyl-1H-pyridin-2-one
CID 10797117
3-hydroxy-2-oxo-1H-pyridine-4-carboxamide
CID 67593311

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid (CID 82400523) is 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid is CC(C)(C)c1c(C(=O)O)cc[nH]c1=O.
What is the InChIKey of 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is AKSYDVLRKLYFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2,3)7-6(9(13)14)4-5-11-8(7)12/h4-5H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid?
3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 82400523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).