6-chloropyridazine-3-carboxylic acid;pent-4-enamide

C10H12ClN3O3 — CID 175273848

IUPAC6-chloropyridazine-3-carboxylic acid;pent-4-enamide
SMILESC=CCCC(N)=O.O=C(O)c1ccc(Cl)nn1
InChIInChI=1S/C5H3ClN2O2.C5H9NO/c6-4-2-1-3(5(9)10)7-8-4;1-2-3-4-5(6)7/h1-2H,(H,9,10);2H,1,3-4H2,(H2,6,7)
InChIKeyJHKBUNIGWSPYHH-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.27
Rot. Bonds4

About 6-chloropyridazine-3-carboxylic acid;pent-4-enamide

6-chloropyridazine-3-carboxylic acid;pent-4-enamide (PubChem CID 175273848) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 6-chloropyridazine-3-carboxylic acid;pent-4-enamide.

Molecular Properties

Compound Name6-chloropyridazine-3-carboxylic acid;pent-4-enamide
PubChem CID175273848
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name6-chloropyridazine-3-carboxylic acid;pent-4-enamide
SMILESC=CCCC(N)=O.O=C(O)c1ccc(Cl)nn1
InChIInChI=1S/C5H3ClN2O2.C5H9NO/c6-4-2-1-3(5(9)10)7-8-4;1-2-3-4-5(6)7/h1-2H,(H,9,10);2H,1,3-4H2,(H2,6,7)
InChIKeyJHKBUNIGWSPYHH-UHFFFAOYSA-N
XLogP1.27
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazine-3-carboxylic acid;pent-4-enamide?
The IUPAC name of 6-chloropyridazine-3-carboxylic acid;pent-4-enamide (CID 175273848) is 6-chloropyridazine-3-carboxylic acid;pent-4-enamide.
What is the SMILES notation for 6-chloropyridazine-3-carboxylic acid;pent-4-enamide?
The canonical SMILES for 6-chloropyridazine-3-carboxylic acid;pent-4-enamide is C=CCCC(N)=O.O=C(O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloropyridazine-3-carboxylic acid;pent-4-enamide?
The InChIKey is JHKBUNIGWSPYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2.C5H9NO/c6-4-2-1-3(5(9)10)7-8-4;1-2-3-4-5(6)7/h1-2H,(H,9,10);2H,1,3-4H2,(H2,6,7).
What are the key properties of 6-chloropyridazine-3-carboxylic acid;pent-4-enamide?
6-chloropyridazine-3-carboxylic acid;pent-4-enamide has a molecular weight of 257.68 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridazine-3-carboxylic acid;pent-4-enamide is sourced from PubChem (CID 175273848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).