2-methylprop-2-enoic acid;pyridine-2-carboxylic acid

C10H11NO4 — CID 174790121

IUPAC2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
SMILESC=C(C)C(=O)O.O=C(O)c1ccccn1
InChIInChI=1S/C6H5NO2.C4H6O2/c8-6(9)5-3-1-2-4-7-5;1-3(2)4(5)6/h1-4H,(H,8,9);1H2,2H3,(H,5,6)
InChIKeyTYFNGCMCZBSAGU-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.43
Rot. Bonds2

About 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid

2-methylprop-2-enoic acid;pyridine-2-carboxylic acid (PubChem CID 174790121) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
PubChem CID174790121
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
SMILESC=C(C)C(=O)O.O=C(O)c1ccccn1
InChIInChI=1S/C6H5NO2.C4H6O2/c8-6(9)5-3-1-2-4-7-5;1-3(2)4(5)6/h1-4H,(H,8,9);1H2,2H3,(H,5,6)
InChIKeyTYFNGCMCZBSAGU-UHFFFAOYSA-N
XLogP1.43
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

gadolinium;pyridine-2-carboxylic acid
CID 175231422
CID 175246691
CID 175246691
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
europium;pyridine-2-carboxylic acid
CID 174808227
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
4-hydroxypent-3-en-2-one;pyridine-2-carboxylic acid
CID 77413550
2-(3-methylbuta-1,3-dien-2-yl)pyridine
CID 91495924
benzene;iridium;pyridine-2-carboxylic acid
CID 175281168
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid
CID 70268469

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid?
The IUPAC name of 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid (CID 174790121) is 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid is C=C(C)C(=O)O.O=C(O)c1ccccn1.
What is the InChIKey of 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid?
The InChIKey is TYFNGCMCZBSAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C4H6O2/c8-6(9)5-3-1-2-4-7-5;1-3(2)4(5)6/h1-4H,(H,8,9);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid?
2-methylprop-2-enoic acid;pyridine-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;pyridine-2-carboxylic acid is sourced from PubChem (CID 174790121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).