[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine

C10H11F3N4O2S — CID 163478318

IUPAC[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine
SMILESCCS(=O)(=O)c1c(NN)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C10H11F3N4O2S/c1-2-20(18,19)9-8(16-14)15-7-4-3-6(5-17(7)9)10(11,12)13/h3-5,16H,2,14H2,1H3
InChIKeyCCJMHFVYGPLKEY-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.43
Rot. Bonds3

About [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine

[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine (PubChem CID 163478318) has the molecular formula C10H11F3N4O2S and a molecular weight of 308.29 g/mol. Its IUPAC name is [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine
PubChem CID163478318
Molecular FormulaC10H11F3N4O2S
Molecular Weight308.29 g/mol
Exact Mass308.06
IUPAC Name[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine
SMILESCCS(=O)(=O)c1c(NN)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C10H11F3N4O2S/c1-2-20(18,19)9-8(16-14)15-7-4-3-6(5-17(7)9)10(11,12)13/h3-5,16H,2,14H2,1H3
InChIKeyCCJMHFVYGPLKEY-UHFFFAOYSA-N
XLogP1.43
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine?
The IUPAC name of [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine (CID 163478318) is [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine.
What is the SMILES notation for [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine?
The canonical SMILES for [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine is CCS(=O)(=O)c1c(NN)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine?
The InChIKey is CCJMHFVYGPLKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S/c1-2-20(18,19)9-8(16-14)15-7-4-3-6(5-17(7)9)10(11,12)13/h3-5,16H,2,14H2,1H3.
What are the key properties of [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine?
[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine has a molecular weight of 308.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]hydrazine is sourced from PubChem (CID 163478318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).