N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine

C10H13F3N2O — CID 82794972

IUPACN-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
SMILESCNc1cccc(OCCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-14-8-4-2-5-9(15-8)16-7-3-6-10(11,12)13/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyGULYCJHFXOHXEY-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.84
Rot. Bonds5

About N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine

N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine (PubChem CID 82794972) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
PubChem CID82794972
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC NameN-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
SMILESCNc1cccc(OCCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-14-8-4-2-5-9(15-8)16-7-3-6-10(11,12)13/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyGULYCJHFXOHXEY-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine?
The IUPAC name of N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine (CID 82794972) is N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine is CNc1cccc(OCCCC(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine?
The InChIKey is GULYCJHFXOHXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-14-8-4-2-5-9(15-8)16-7-3-6-10(11,12)13/h2,4-5H,3,6-7H2,1H3,(H,14,15).
What are the key properties of N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine?
N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine is sourced from PubChem (CID 82794972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).