2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride

C12H14ClF3N4 — CID 126467492

IUPAC2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride
SMILESCN1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1.Cl
InChIInChI=1S/C12H13F3N4.ClH/c1-18-4-6-19(7-5-18)11-9(8-16)2-3-10(17-11)12(13,14)15;/h2-3H,4-7H2,1H3;1H
InChIKeySHHLDJHVGIZAEU-UHFFFAOYSA-N
MW306.72 g/mol
LogP2.15
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride

2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride (PubChem CID 126467492) has the molecular formula C12H14ClF3N4 and a molecular weight of 306.72 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride
PubChem CID126467492
Molecular FormulaC12H14ClF3N4
Molecular Weight306.72 g/mol
Exact Mass306.09
IUPAC Name2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride
SMILESCN1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1.Cl
InChIInChI=1S/C12H13F3N4.ClH/c1-18-4-6-19(7-5-18)11-9(8-16)2-3-10(17-11)12(13,14)15;/h2-3H,4-7H2,1H3;1H
InChIKeySHHLDJHVGIZAEU-UHFFFAOYSA-N
XLogP2.15
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride (CID 126467492) is 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride is CN1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride?
The InChIKey is SHHLDJHVGIZAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4.ClH/c1-18-4-6-19(7-5-18)11-9(8-16)2-3-10(17-11)12(13,14)15;/h2-3H,4-7H2,1H3;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride?
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride has a molecular weight of 306.72 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 126467492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).