2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C12H16F2N4O — CID 114073547

IUPAC2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNNc1nc(N2CC3CCC(O)C3C2)c(F)cc1F
InChIInChI=1S/C12H16F2N4O/c13-8-3-9(14)12(16-11(8)17-15)18-4-6-1-2-10(19)7(6)5-18/h3,6-7,10,19H,1-2,4-5,15H2,(H,16,17)
InChIKeyDSRFTZGNDAZWKG-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.85
Rot. Bonds2

About 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 114073547) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID114073547
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNNc1nc(N2CC3CCC(O)C3C2)c(F)cc1F
InChIInChI=1S/C12H16F2N4O/c13-8-3-9(14)12(16-11(8)17-15)18-4-6-1-2-10(19)7(6)5-18/h3,6-7,10,19H,1-2,4-5,15H2,(H,16,17)
InChIKeyDSRFTZGNDAZWKG-UHFFFAOYSA-N
XLogP0.85
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 114073547) is 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is NNc1nc(N2CC3CCC(O)C3C2)c(F)cc1F.
What is the InChIKey of 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is DSRFTZGNDAZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c13-8-3-9(14)12(16-11(8)17-15)18-4-6-1-2-10(19)7(6)5-18/h3,6-7,10,19H,1-2,4-5,15H2,(H,16,17).
What are the key properties of 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 270.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 114073547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).