2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid

C9H10N2O4 — CID 119086981

IUPAC2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
SMILESCNC(=O)c1ccc(OCC(=O)O)cn1
InChIInChI=1S/C9H10N2O4/c1-10-9(14)7-3-2-6(4-11-7)15-5-8(12)13/h2-4H,5H2,1H3,(H,10,14)(H,12,13)
InChIKeyIBCICMGOPJOQOB-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.10
Rot. Bonds4

About 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid

2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid (PubChem CID 119086981) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
PubChem CID119086981
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
SMILESCNC(=O)c1ccc(OCC(=O)O)cn1
InChIInChI=1S/C9H10N2O4/c1-10-9(14)7-3-2-6(4-11-7)15-5-8(12)13/h2-4H,5H2,1H3,(H,10,14)(H,12,13)
InChIKeyIBCICMGOPJOQOB-UHFFFAOYSA-N
XLogP-0.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Butoxypicolinic acid
CID 173872
4-(2,3-difluoroanilino)-5-ethoxy-N-[(2R)-2-fluoro-3-hydroxypropyl]pyridine-2-carboxamide
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5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 903686
Pyridine-2-carboxylic acid (2-methoxy-phenylcarbamoyl)-methyl ester
CID 1088747
N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 789032
5-Propoxypyridine-2-carboxylic acid
CID 12919808
Synthesis of (E)-5-((2-(aminomethyl)-3-fluoroallyl)oxy)-N,N-diethylpicolinamide
CID 138669975
US11802128, Example 30
CID 169490233
US11802128, Example 32
CID 169490235
US11802128, Example 59
CID 169490259
US11802128, Example 70
CID 169490266
5-Ethoxypyridine-2-carbaldehyde
CID 71757154

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid (CID 119086981) is 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid is CNC(=O)c1ccc(OCC(=O)O)cn1.
What is the InChIKey of 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid?
The InChIKey is IBCICMGOPJOQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-10-9(14)7-3-2-6(4-11-7)15-5-8(12)13/h2-4H,5H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid?
2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid has a molecular weight of 210.19 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 119086981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).