5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C11H14BrF3N2 — CID 114870365

IUPAC5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCN(CC(F)(F)F)c1cc(C)c(Br)cn1
InChIInChI=1S/C11H14BrF3N2/c1-3-4-17(7-11(13,14)15)10-5-8(2)9(12)6-16-10/h5-6H,3-4,7H2,1-2H3
InChIKeyMIVRTPMAKJAHTI-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.93
Rot. Bonds4

About 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 114870365) has the molecular formula C11H14BrF3N2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID114870365
Molecular FormulaC11H14BrF3N2
Molecular Weight311.15 g/mol
Exact Mass310.03
IUPAC Name5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCN(CC(F)(F)F)c1cc(C)c(Br)cn1
InChIInChI=1S/C11H14BrF3N2/c1-3-4-17(7-11(13,14)15)10-5-8(2)9(12)6-16-10/h5-6H,3-4,7H2,1-2H3
InChIKeyMIVRTPMAKJAHTI-UHFFFAOYSA-N
XLogP3.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 114870365) is 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CCCN(CC(F)(F)F)c1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is MIVRTPMAKJAHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2/c1-3-4-17(7-11(13,14)15)10-5-8(2)9(12)6-16-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 311.15 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 114870365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).