(2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid

C12H10N2O2 — CID 13206156

IUPAC(2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C/c1cccc2cncn12
InChIInChI=1S/C12H10N2O2/c15-12(16)7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h1-9H,(H,15,16)/b4-1+,7-2+
InChIKeyGHENEUQHDIPOPT-BQJQTIKASA-N
MW214.22 g/mol
LogP1.99
Rot. Bonds3

About (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid

(2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid (PubChem CID 13206156) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid
PubChem CID13206156
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name(2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C/c1cccc2cncn12
InChIInChI=1S/C12H10N2O2/c15-12(16)7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h1-9H,(H,15,16)/b4-1+,7-2+
InChIKeyGHENEUQHDIPOPT-BQJQTIKASA-N
XLogP1.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid (CID 13206156) is (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid is O=C(O)/C=C/C=C/c1cccc2cncn12.
What is the InChIKey of (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid?
The InChIKey is GHENEUQHDIPOPT-BQJQTIKASA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12(16)7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h1-9H,(H,15,16)/b4-1+,7-2+.
What are the key properties of (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid?
(2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid has a molecular weight of 214.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-imidazo[1,5-a]pyridin-5-ylpenta-2,4-dienoic acid is sourced from PubChem (CID 13206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).