methyl 6-(furan-2-yl)pyridazine-3-carboxylate

C10H8N2O3 — CID 58366220

IUPACmethyl 6-(furan-2-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccco2)nn1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)8-5-4-7(11-12-8)9-3-2-6-15-9/h2-6H,1H3
InChIKeyRWBWPNKVPDWLSZ-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.52
Rot. Bonds2

About methyl 6-(furan-2-yl)pyridazine-3-carboxylate

methyl 6-(furan-2-yl)pyridazine-3-carboxylate (PubChem CID 58366220) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is methyl 6-(furan-2-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(furan-2-yl)pyridazine-3-carboxylate
PubChem CID58366220
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Namemethyl 6-(furan-2-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccco2)nn1
InChIInChI=1S/C10H8N2O3/c1-14-10(13)8-5-4-7(11-12-8)9-3-2-6-15-9/h2-6H,1H3
InChIKeyRWBWPNKVPDWLSZ-UHFFFAOYSA-N
XLogP1.52
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(furan-2-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(furan-2-yl)pyridazine-3-carboxylate (CID 58366220) is methyl 6-(furan-2-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(furan-2-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(furan-2-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(-c2ccco2)nn1.
What is the InChIKey of methyl 6-(furan-2-yl)pyridazine-3-carboxylate?
The InChIKey is RWBWPNKVPDWLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-14-10(13)8-5-4-7(11-12-8)9-3-2-6-15-9/h2-6H,1H3.
What are the key properties of methyl 6-(furan-2-yl)pyridazine-3-carboxylate?
methyl 6-(furan-2-yl)pyridazine-3-carboxylate has a molecular weight of 204.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(furan-2-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 58366220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).