3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid

C12H13NO5 — CID 140907193

IUPAC3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
SMILESC=C(C)C(=O)OCCOc1cccnc1C(=O)O
InChIInChI=1S/C12H13NO5/c1-8(2)12(16)18-7-6-17-9-4-3-5-13-10(9)11(14)15/h3-5H,1,6-7H2,2H3,(H,14,15)
InChIKeySXLKRTIKIANLJZ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.28
Rot. Bonds6

About 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid

3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid (PubChem CID 140907193) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
PubChem CID140907193
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
SMILESC=C(C)C(=O)OCCOc1cccnc1C(=O)O
InChIInChI=1S/C12H13NO5/c1-8(2)12(16)18-7-6-17-9-4-3-5-13-10(9)11(14)15/h3-5H,1,6-7H2,2H3,(H,14,15)
InChIKeySXLKRTIKIANLJZ-UHFFFAOYSA-N
XLogP1.28
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 129205712
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
CID 164966256
3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380351
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
3-[2-(4-fluorophenyl)sulfanylethoxy]pyridine-2-carboxylic acid
CID 61380108

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid (CID 140907193) is 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid is C=C(C)C(=O)OCCOc1cccnc1C(=O)O.
What is the InChIKey of 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid?
The InChIKey is SXLKRTIKIANLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-8(2)12(16)18-7-6-17-9-4-3-5-13-10(9)11(14)15/h3-5H,1,6-7H2,2H3,(H,14,15).
What are the key properties of 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid?
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 140907193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).