6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid

C12H14N2O4 — CID 79157630

IUPAC6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid
SMILESCc1ccc(OC2CCN(C)C2=O)c(C(=O)O)n1
InChIInChI=1S/C12H14N2O4/c1-7-3-4-8(10(13-7)12(16)17)18-9-5-6-14(2)11(9)15/h3-4,9H,5-6H2,1-2H3,(H,16,17)
InChIKeyXXJPVFAOIMKBFF-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.70
Rot. Bonds3

About 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid

6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid (PubChem CID 79157630) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid
PubChem CID79157630
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid
SMILESCc1ccc(OC2CCN(C)C2=O)c(C(=O)O)n1
InChIInChI=1S/C12H14N2O4/c1-7-3-4-8(10(13-7)12(16)17)18-9-5-6-14(2)11(9)15/h3-4,9H,5-6H2,1-2H3,(H,16,17)
InChIKeyXXJPVFAOIMKBFF-UHFFFAOYSA-N
XLogP0.70
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Propoxypicolinic Acid
CID 19756142
3-Ethoxypyridine-2-carboxylic acid
CID 21333204
3-Ethoxy-6-methylpyridine-2-carboxylic acid
CID 22923857
3-Methoxy-6-methylpyridine-2-carboxylic acid hydrochloride
CID 138040147
3-Methoxy-6-methylpyridine-2-carboxylic acid
CID 13358776
3-((1-(trans-4-(Trifluoromethyl)cyclohexanecarbonyl)pyrrolidin-3-yl)methoxy)picolinic acid
CID 66960675
3-((3-Methyl-1-(trans-4-(trifluoromethyl)cyclohexanecarbonyl)pyrrolidin-3-yl)methoxy)picolinic acid
CID 66961872
3-(1-Fluoropropan-2-yloxy)pyridine-2-carboxylic acid
CID 153934616
Methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172732856
6-fluoro-5-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-2-carboxylic acid
CID 176291961
3-(Prop-2-en-1-yloxy)pyridine-2-carboxylic acid
CID 61380069
Ethyl 3-hydroxy-6-methylpicolinate
CID 131199120

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid (CID 79157630) is 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid is Cc1ccc(OC2CCN(C)C2=O)c(C(=O)O)n1.
What is the InChIKey of 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid?
The InChIKey is XXJPVFAOIMKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-3-4-8(10(13-7)12(16)17)18-9-5-6-14(2)11(9)15/h3-4,9H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid?
6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)oxypyridine-2-carboxylic acid is sourced from PubChem (CID 79157630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).