4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine

C7H8F2IN3 — CID 155436100

IUPAC4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
SMILESNc1nn2c(c1I)C(F)(F)CCC2
InChIInChI=1S/C7H8F2IN3/c8-7(9)2-1-3-13-5(7)4(10)6(11)12-13/h1-3H2,(H2,11,12)
InChIKeyXFMFVOKOVRDXQI-UHFFFAOYSA-N
MW299.06 g/mol
LogP1.96
Rot. Bonds

About 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine

4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine (PubChem CID 155436100) has the molecular formula C7H8F2IN3 and a molecular weight of 299.06 g/mol. Its IUPAC name is 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
PubChem CID155436100
Molecular FormulaC7H8F2IN3
Molecular Weight299.06 g/mol
Exact Mass298.97
IUPAC Name4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
SMILESNc1nn2c(c1I)C(F)(F)CCC2
InChIInChI=1S/C7H8F2IN3/c8-7(9)2-1-3-13-5(7)4(10)6(11)12-13/h1-3H2,(H2,11,12)
InChIKeyXFMFVOKOVRDXQI-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.06
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine (CID 155436100) is 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine is Nc1nn2c(c1I)C(F)(F)CCC2.
What is the InChIKey of 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine?
The InChIKey is XFMFVOKOVRDXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2IN3/c8-7(9)2-1-3-13-5(7)4(10)6(11)12-13/h1-3H2,(H2,11,12).
What are the key properties of 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine?
4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine has a molecular weight of 299.06 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155436100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).