[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C5H4ClF3N4 — CID 177167966

IUPAC[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C5H4ClF3N4/c6-3-2(5(7,8)9)1-11-4(12-3)13-10/h1H,10H2,(H,11,12,13)
InChIKeyZGJVCADOWLHPAJ-UHFFFAOYSA-N
MW212.56 g/mol
LogP1.43
Rot. Bonds1

About [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 177167966) has the molecular formula C5H4ClF3N4 and a molecular weight of 212.56 g/mol. Its IUPAC name is [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID177167966
Molecular FormulaC5H4ClF3N4
Molecular Weight212.56 g/mol
Exact Mass212.01
IUPAC Name[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C5H4ClF3N4/c6-3-2(5(7,8)9)1-11-4(12-3)13-10/h1H,10H2,(H,11,12,13)
InChIKeyZGJVCADOWLHPAJ-UHFFFAOYSA-N
XLogP1.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 177167966) is [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1ncc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is ZGJVCADOWLHPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N4/c6-3-2(5(7,8)9)1-11-4(12-3)13-10/h1H,10H2,(H,11,12,13).
What are the key properties of [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 212.56 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 177167966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).