[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine

C10H13BrF3N5 — CID 80925546

IUPAC[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H13BrF3N5/c11-7-4-16-9(18-15)17-8(7)19-3-1-2-6(5-19)10(12,13)14/h4,6H,1-3,5,15H2,(H,16,17,18)
InChIKeyLDWCMHVPSCUZKK-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.30
Rot. Bonds2

About [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine

[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine (PubChem CID 80925546) has the molecular formula C10H13BrF3N5 and a molecular weight of 340.15 g/mol. Its IUPAC name is [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine
PubChem CID80925546
Molecular FormulaC10H13BrF3N5
Molecular Weight340.15 g/mol
Exact Mass339.03
IUPAC Name[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H13BrF3N5/c11-7-4-16-9(18-15)17-8(7)19-3-1-2-6(5-19)10(12,13)14/h4,6H,1-3,5,15H2,(H,16,17,18)
InChIKeyLDWCMHVPSCUZKK-UHFFFAOYSA-N
XLogP2.30
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.30
H-Bond Donors ≤ 52
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 [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine (CID 80925546) is [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine is NNc1ncc(Br)c(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine?
The InChIKey is LDWCMHVPSCUZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N5/c11-7-4-16-9(18-15)17-8(7)19-3-1-2-6(5-19)10(12,13)14/h4,6H,1-3,5,15H2,(H,16,17,18).
What are the key properties of [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine?
[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine has a molecular weight of 340.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80925546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).