N-butyl-5-(trifluoromethyl)pyridin-2-amine

C10H13F3N2 — CID 2991835

IUPACN-butyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2/c1-2-3-6-14-9-5-4-8(7-15-9)10(11,12)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyOENWIDOCOUHLCY-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.31
Rot. Bonds4

About N-butyl-5-(trifluoromethyl)pyridin-2-amine

N-butyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2991835) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-butyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2991835
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-butyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2/c1-2-3-6-14-9-5-4-8(7-15-9)10(11,12)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyOENWIDOCOUHLCY-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-butyl-5-(trifluoromethyl)pyridin-2-amine (CID 2991835) is N-butyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-5-(trifluoromethyl)pyridin-2-amine is CCCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-butyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OENWIDOCOUHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-2-3-6-14-9-5-4-8(7-15-9)10(11,12)13/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-butyl-5-(trifluoromethyl)pyridin-2-amine?
N-butyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 218.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2991835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).