3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine

C13H13BrN2O — CID 178171472

IUPAC3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine
SMILESC=C(/C=C\C)COc1ccc2c(Br)cnn2c1
InChIInChI=1S/C13H13BrN2O/c1-3-4-10(2)9-17-11-5-6-13-12(14)7-15-16(13)8-11/h3-8H,2,9H2,1H3/b4-3-
InChIKeyDEDUWLVMMJZVAS-ARJAWSKDSA-N
MW293.16 g/mol
LogP3.61
Rot. Bonds4

About 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine

3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine (PubChem CID 178171472) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine
PubChem CID178171472
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine
SMILESC=C(/C=C\C)COc1ccc2c(Br)cnn2c1
InChIInChI=1S/C13H13BrN2O/c1-3-4-10(2)9-17-11-5-6-13-12(14)7-15-16(13)8-11/h3-8H,2,9H2,1H3/b4-3-
InChIKeyDEDUWLVMMJZVAS-ARJAWSKDSA-N
XLogP3.61
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine (CID 178171472) is 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine is C=C(/C=C\C)COc1ccc2c(Br)cnn2c1.
What is the InChIKey of 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is DEDUWLVMMJZVAS-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-3-4-10(2)9-17-11-5-6-13-12(14)7-15-16(13)8-11/h3-8H,2,9H2,1H3/b4-3-.
What are the key properties of 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine?
3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 293.16 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(Z)-2-methylidenepent-3-enoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 178171472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).