[3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine

C10H10BrF2N3 — CID 134532036

IUPAC[3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine
SMILESNNC1=NCC(c2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C10H10BrF2N3/c11-6-2-7(12)10(8(13)3-6)5-1-9(16-14)15-4-5/h2-3,5H,1,4,14H2,(H,15,16)
InChIKeyNCSCRCOANUFKFR-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.08
Rot. Bonds1

About [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine

[3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine (PubChem CID 134532036) has the molecular formula C10H10BrF2N3 and a molecular weight of 290.11 g/mol. Its IUPAC name is [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine.

Molecular Properties

Compound Name[3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine
PubChem CID134532036
Molecular FormulaC10H10BrF2N3
Molecular Weight290.11 g/mol
Exact Mass289.00
IUPAC Name[3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine
SMILESNNC1=NCC(c2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C10H10BrF2N3/c11-6-2-7(12)10(8(13)3-6)5-1-9(16-14)15-4-5/h2-3,5H,1,4,14H2,(H,15,16)
InChIKeyNCSCRCOANUFKFR-UHFFFAOYSA-N
XLogP2.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine?
The IUPAC name of [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine (CID 134532036) is [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine.
What is the SMILES notation for [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine?
The canonical SMILES for [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine is NNC1=NCC(c2c(F)cc(Br)cc2F)C1.
What is the InChIKey of [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine?
The InChIKey is NCSCRCOANUFKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3/c11-6-2-7(12)10(8(13)3-6)5-1-9(16-14)15-4-5/h2-3,5H,1,4,14H2,(H,15,16).
What are the key properties of [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine?
[3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine has a molecular weight of 290.11 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine is sourced from PubChem (CID 134532036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).