6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine

C11H15F3N4 — CID 79825633

IUPAC6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine
SMILESNc1ccc(N2CCCC(C(F)(F)F)C2)nc1N
InChIInChI=1S/C11H15F3N4/c12-11(13,14)7-2-1-5-18(6-7)9-4-3-8(15)10(16)17-9/h3-4,7H,1-2,5-6,15H2,(H2,16,17)
InChIKeyWGUVOJJWCSEFGL-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.02
Rot. Bonds1

About 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine

6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine (PubChem CID 79825633) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine
PubChem CID79825633
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine
SMILESNc1ccc(N2CCCC(C(F)(F)F)C2)nc1N
InChIInChI=1S/C11H15F3N4/c12-11(13,14)7-2-1-5-18(6-7)9-4-3-8(15)10(16)17-9/h3-4,7H,1-2,5-6,15H2,(H2,16,17)
InChIKeyWGUVOJJWCSEFGL-UHFFFAOYSA-N
XLogP2.02
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine?
The IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine (CID 79825633) is 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine.
What is the SMILES notation for 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine?
The canonical SMILES for 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine is Nc1ccc(N2CCCC(C(F)(F)F)C2)nc1N.
What is the InChIKey of 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine?
The InChIKey is WGUVOJJWCSEFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)7-2-1-5-18(6-7)9-4-3-8(15)10(16)17-9/h3-4,7H,1-2,5-6,15H2,(H2,16,17).
What are the key properties of 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine?
6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine has a molecular weight of 260.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine is sourced from PubChem (CID 79825633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).