6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

C12H9F3N2O — CID 54912407

IUPAC6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)18-9-6-4-8(5-7-9)10-2-1-3-11(16)17-10/h1-7H,(H2,16,17)
InChIKeyDGRWWKFXSFSJDF-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.23
Rot. Bonds2

About 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 54912407) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID54912407
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)18-9-6-4-8(5-7-9)10-2-1-3-11(16)17-10/h1-7H,(H2,16,17)
InChIKeyDGRWWKFXSFSJDF-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 54912407) is 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is Nc1cccc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is DGRWWKFXSFSJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)18-9-6-4-8(5-7-9)10-2-1-3-11(16)17-10/h1-7H,(H2,16,17).
What are the key properties of 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 254.21 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 54912407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).