5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine

C12H15BrF3N3 — CID 106796641

IUPAC5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1(Nc2ncc(Br)cc2C(F)(F)F)CCNCC1
InChIInChI=1S/C12H15BrF3N3/c1-11(2-4-17-5-3-11)19-10-9(12(14,15)16)6-8(13)7-18-10/h6-7,17H,2-5H2,1H3,(H,18,19)
InChIKeyVGEBFJMHIUQLNH-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.42
Rot. Bonds2

About 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796641) has the molecular formula C12H15BrF3N3 and a molecular weight of 338.17 g/mol. Its IUPAC name is 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796641
Molecular FormulaC12H15BrF3N3
Molecular Weight338.17 g/mol
Exact Mass337.04
IUPAC Name5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1(Nc2ncc(Br)cc2C(F)(F)F)CCNCC1
InChIInChI=1S/C12H15BrF3N3/c1-11(2-4-17-5-3-11)19-10-9(12(14,15)16)6-8(13)7-18-10/h6-7,17H,2-5H2,1H3,(H,18,19)
InChIKeyVGEBFJMHIUQLNH-UHFFFAOYSA-N
XLogP3.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796641) is 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine is CC1(Nc2ncc(Br)cc2C(F)(F)F)CCNCC1.
What is the InChIKey of 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VGEBFJMHIUQLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3N3/c1-11(2-4-17-5-3-11)19-10-9(12(14,15)16)6-8(13)7-18-10/h6-7,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 338.17 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).