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

C7H8BrF2N3 — CID 155436306

IUPAC3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
SMILESNc1nn2c(c1Br)C(F)(F)CCC2
InChIInChI=1S/C7H8BrF2N3/c8-4-5-7(9,10)2-1-3-13(5)12-6(4)11/h1-3H2,(H2,11,12)
InChIKeyJYZBFPBVBXDRAA-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.11
Rot. Bonds

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

3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine (PubChem CID 155436306) has the molecular formula C7H8BrF2N3 and a molecular weight of 252.06 g/mol. Its IUPAC name is 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
PubChem CID155436306
Molecular FormulaC7H8BrF2N3
Molecular Weight252.06 g/mol
Exact Mass250.99
IUPAC Name3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
SMILESNc1nn2c(c1Br)C(F)(F)CCC2
InChIInChI=1S/C7H8BrF2N3/c8-4-5-7(9,10)2-1-3-13(5)12-6(4)11/h1-3H2,(H2,11,12)
InChIKeyJYZBFPBVBXDRAA-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 155436100
4,4-Difluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine
CID 155436157
3-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 155436160
4,4-difluoro-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 155453723
3-bromo-7-(difluoromethyl)-2-ethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837317
3-Bromo-2-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837326
3-bromo-2-ethyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837339
3-bromo-7-(difluoromethyl)-2-propyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136838525
3-Bromo-5-methyl-2-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838534
3-Bromo-5-methyl-2-(3-methylbutyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838625
3-Bromo-2-(3-methylbutyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838632
3-Bromo-7-(difluoromethyl)-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838739

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine (CID 155436306) is 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine is Nc1nn2c(c1Br)C(F)(F)CCC2.
What is the InChIKey of 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine?
The InChIKey is JYZBFPBVBXDRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3/c8-4-5-7(9,10)2-1-3-13(5)12-6(4)11/h1-3H2,(H2,11,12).
What are the key properties of 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine?
3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine has a molecular weight of 252.06 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155436306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).