6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid

C10H13NO3 — CID 15641804

IUPAC6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid
SMILESCCCc1cc(C)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C10H13NO3/c1-3-4-7-5-6(2)11-9(12)8(7)10(13)14/h5H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySMMSFHOXZXRLGP-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.33
Rot. Bonds3

About 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid

6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid (PubChem CID 15641804) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid
PubChem CID15641804
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid
SMILESCCCc1cc(C)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C10H13NO3/c1-3-4-7-5-6(2)11-9(12)8(7)10(13)14/h5H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySMMSFHOXZXRLGP-UHFFFAOYSA-N
XLogP1.33
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 3152509
6-Methyl-2-pyridone-3-carboxylic acid
CID 94960
2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 647149
4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 247444
2-oxo-1H,2H,5H,6H,7H-cyclopenta(b)pyridine-3-carboxylic acid
CID 6484274
2-oxo-1H,2H,5H,6H,7H,8H,9H-cyclohepta(b)pyridine-3-carboxylic acid
CID 6484266
1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 6501006
2-Oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 13543670
6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 13543671
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid
CID 277833
6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 113444
2-Oxo-6-propyl-1,2-dihydropyridine-4-carboxylic acid
CID 12586777

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid (CID 15641804) is 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid is CCCc1cc(C)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid?
The InChIKey is SMMSFHOXZXRLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-4-7-5-6(2)11-9(12)8(7)10(13)14/h5H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid?
6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 15641804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).