6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine

C13H12F2N2O — CID 130248619

IUPAC6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine
SMILESC=C(OC)c1cnn2cc(/C=C/C(F)F)ccc12
InChIInChI=1S/C13H12F2N2O/c1-9(18-2)11-7-16-17-8-10(3-5-12(11)17)4-6-13(14)15/h3-8,13H,1H2,2H3/b6-4+
InChIKeyXBTPWZXKODPRCQ-GQCTYLIASA-N
MW250.25 g/mol
LogP3.23
Rot. Bonds4

About 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine

6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine (PubChem CID 130248619) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine
PubChem CID130248619
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine
SMILESC=C(OC)c1cnn2cc(/C=C/C(F)F)ccc12
InChIInChI=1S/C13H12F2N2O/c1-9(18-2)11-7-16-17-8-10(3-5-12(11)17)4-6-13(14)15/h3-8,13H,1H2,2H3/b6-4+
InChIKeyXBTPWZXKODPRCQ-GQCTYLIASA-N
XLogP3.23
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine (CID 130248619) is 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine is C=C(OC)c1cnn2cc(/C=C/C(F)F)ccc12.
What is the InChIKey of 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine?
The InChIKey is XBTPWZXKODPRCQ-GQCTYLIASA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-9(18-2)11-7-16-17-8-10(3-5-12(11)17)4-6-13(14)15/h3-8,13H,1H2,2H3/b6-4+.
What are the key properties of 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine?
6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine has a molecular weight of 250.25 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3,3-difluoroprop-1-enyl]-3-(1-methoxyethenyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 130248619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).