6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine

C12H9F3N2O — CID 2798549

IUPAC6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-1-4-10(5-2-8)18-11-6-3-9(16)7-17-11/h1-7H,16H2
InChIKeyISCOPRCGERKPKL-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.47
Rot. Bonds2

About 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine

6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine (PubChem CID 2798549) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine
PubChem CID2798549
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-1-4-10(5-2-8)18-11-6-3-9(16)7-17-11/h1-7H,16H2
InChIKeyISCOPRCGERKPKL-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine?
The IUPAC name of 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine (CID 2798549) is 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine is Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine?
The InChIKey is ISCOPRCGERKPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)8-1-4-10(5-2-8)18-11-6-3-9(16)7-17-11/h1-7H,16H2.
What are the key properties of 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine?
6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine has a molecular weight of 254.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 2798549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).