2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine

C10H10F3N3 — CID 126769421

IUPAC2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine
SMILESFC(F)(F)C1=CCN(c2cnccn2)CC1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)8-1-5-16(6-2-8)9-7-14-3-4-15-9/h1,3-4,7H,2,5-6H2
InChIKeyDIFIXSYDFMJAOB-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.18
Rot. Bonds1

About 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine

2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine (PubChem CID 126769421) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine
PubChem CID126769421
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine
SMILESFC(F)(F)C1=CCN(c2cnccn2)CC1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)8-1-5-16(6-2-8)9-7-14-3-4-15-9/h1,3-4,7H,2,5-6H2
InChIKeyDIFIXSYDFMJAOB-UHFFFAOYSA-N
XLogP2.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine?
The IUPAC name of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine (CID 126769421) is 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine?
The canonical SMILES for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine is FC(F)(F)C1=CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine?
The InChIKey is DIFIXSYDFMJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)8-1-5-16(6-2-8)9-7-14-3-4-15-9/h1,3-4,7H,2,5-6H2.
What are the key properties of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine?
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine has a molecular weight of 229.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazine is sourced from PubChem (CID 126769421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).