2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid

C10H10N2O4 — CID 114324862

IUPAC2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CCOC2=O)c1
InChIInChI=1S/C10H10N2O4/c13-9(14)7-1-2-11-8(5-7)6-12-3-4-16-10(12)15/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyIIWKAUAVGGCXFR-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.73
Rot. Bonds3

About 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid

2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 114324862) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
PubChem CID114324862
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CCOC2=O)c1
InChIInChI=1S/C10H10N2O4/c13-9(14)7-1-2-11-8(5-7)6-12-3-4-16-10(12)15/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyIIWKAUAVGGCXFR-UHFFFAOYSA-N
XLogP0.73
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324861
2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324863
3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 79251550
2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
CID 114325415
2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
CID 114324425
2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
CID 113277697
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415
2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
CID 114325420
2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
CID 81318059
2-[(1,1-dioxothiazinan-2-yl)methyl]pyridine-4-carboxylic acid
CID 116814508
2-[[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325153
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324081

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid (CID 114324862) is 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CN2CCOC2=O)c1.
What is the InChIKey of 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is IIWKAUAVGGCXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-9(14)7-1-2-11-8(5-7)6-12-3-4-16-10(12)15/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid?
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).