3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid

C9H8N2O3 — CID 173298089

IUPAC3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid
SMILES[H]/N=C/C(C(=O)O)=C(O)c1ccccn1
InChIInChI=1S/C9H8N2O3/c10-5-6(9(13)14)8(12)7-3-1-2-4-11-7/h1-5,10,12H,(H,13,14)/b8-6?,10-5+
InChIKeyDIRVPGORARIYKT-QXTQWVAJSA-N
MW192.17 g/mol
LogP1.08
Rot. Bonds3

About 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid

3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid (PubChem CID 173298089) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid
PubChem CID173298089
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid
SMILES[H]/N=C/C(C(=O)O)=C(O)c1ccccn1
InChIInChI=1S/C9H8N2O3/c10-5-6(9(13)14)8(12)7-3-1-2-4-11-7/h1-5,10,12H,(H,13,14)/b8-6?,10-5+
InChIKeyDIRVPGORARIYKT-QXTQWVAJSA-N
XLogP1.08
TPSA94.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-ylethane-1,2-diimine
CID 174501150
gadolinium;pyridine-2-carboxylic acid
CID 175231422
2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 139679668
(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
CID 142933408
europium;pyridine-2-carboxylic acid
CID 174808227
hafnium;pyridine-2-carboxylic acid
CID 175130925
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
CID 175246691
CID 175246691
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
pyridin-2-yl(sulfinyl)methanol
CID 173142907

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid?
The IUPAC name of 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid (CID 173298089) is 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid.
What is the SMILES notation for 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid?
The canonical SMILES for 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid is [H]/N=C/C(C(=O)O)=C(O)c1ccccn1.
What is the InChIKey of 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid?
The InChIKey is DIRVPGORARIYKT-QXTQWVAJSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-5-6(9(13)14)8(12)7-3-1-2-4-11-7/h1-5,10,12H,(H,13,14)/b8-6?,10-5+.
What are the key properties of 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid?
3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid has a molecular weight of 192.17 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid is sourced from PubChem (CID 173298089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).