N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide

C7H7ClF2N4O — CID 153370853

IUPACN'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide
SMILESCC(F)(F)C(=O)NNc1cnc(Cl)cn1
InChIInChI=1S/C7H7ClF2N4O/c1-7(9,10)6(15)14-13-5-3-11-4(8)2-12-5/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKeyJLGMHMURDPNWIR-UHFFFAOYSA-N
MW236.61 g/mol
LogP1.23
Rot. Bonds3

About N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide

N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide (PubChem CID 153370853) has the molecular formula C7H7ClF2N4O and a molecular weight of 236.61 g/mol. Its IUPAC name is N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide.

Molecular Properties

Compound NameN'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide
PubChem CID153370853
Molecular FormulaC7H7ClF2N4O
Molecular Weight236.61 g/mol
Exact Mass236.03
IUPAC NameN'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide
SMILESCC(F)(F)C(=O)NNc1cnc(Cl)cn1
InChIInChI=1S/C7H7ClF2N4O/c1-7(9,10)6(15)14-13-5-3-11-4(8)2-12-5/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKeyJLGMHMURDPNWIR-UHFFFAOYSA-N
XLogP1.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.61
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide?
The IUPAC name of N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide (CID 153370853) is N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide.
What is the SMILES notation for N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide?
The canonical SMILES for N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide is CC(F)(F)C(=O)NNc1cnc(Cl)cn1.
What is the InChIKey of N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide?
The InChIKey is JLGMHMURDPNWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N4O/c1-7(9,10)6(15)14-13-5-3-11-4(8)2-12-5/h2-3H,1H3,(H,12,13)(H,14,15).
What are the key properties of N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide?
N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide has a molecular weight of 236.61 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide is sourced from PubChem (CID 153370853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).