(2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid

C12H10N2O3 — CID 67870954

IUPAC(2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid
SMILESCC(=O)/C(=C/c1cnn2ccccc12)C(=O)O
InChIInChI=1S/C12H10N2O3/c1-8(15)10(12(16)17)6-9-7-13-14-5-3-2-4-11(9)14/h2-7H,1H3,(H,16,17)/b10-6-
InChIKeyDARJDNKBDYEDBD-POHAHGRESA-N
MW230.22 g/mol
LogP1.39
Rot. Bonds3

About (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid

(2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid (PubChem CID 67870954) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid.

Molecular Properties

Compound Name(2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid
PubChem CID67870954
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name(2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid
SMILESCC(=O)/C(=C/c1cnn2ccccc12)C(=O)O
InChIInChI=1S/C12H10N2O3/c1-8(15)10(12(16)17)6-9-7-13-14-5-3-2-4-11(9)14/h2-7H,1H3,(H,16,17)/b10-6-
InChIKeyDARJDNKBDYEDBD-POHAHGRESA-N
XLogP1.39
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid?
The IUPAC name of (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid (CID 67870954) is (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid.
What is the SMILES notation for (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid?
The canonical SMILES for (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid is CC(=O)/C(=C/c1cnn2ccccc12)C(=O)O.
What is the InChIKey of (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid?
The InChIKey is DARJDNKBDYEDBD-POHAHGRESA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8(15)10(12(16)17)6-9-7-13-14-5-3-2-4-11(9)14/h2-7H,1H3,(H,16,17)/b10-6-.
What are the key properties of (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid?
(2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid has a molecular weight of 230.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid is sourced from PubChem (CID 67870954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).