[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone

C13H9F3N2O2 — CID 118814135

IUPAC[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESNc1ccc(C(=O)c2ccccn2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-7-8(17)4-5-9(11)12(19)10-3-1-2-6-18-10/h1-7H,17H2
InChIKeyVMZXVAVROLQHHV-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.79
Rot. Bonds3

About [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone

[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone (PubChem CID 118814135) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
PubChem CID118814135
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESNc1ccc(C(=O)c2ccccn2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-7-8(17)4-5-9(11)12(19)10-3-1-2-6-18-10/h1-7H,17H2
InChIKeyVMZXVAVROLQHHV-UHFFFAOYSA-N
XLogP2.79
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802816
[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654
[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847893
[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118814239
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
(2-amino-3-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118841909
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone (CID 118814135) is [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone is Nc1ccc(C(=O)c2ccccn2)c(OC(F)(F)F)c1.
What is the InChIKey of [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The InChIKey is VMZXVAVROLQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)20-11-7-8(17)4-5-9(11)12(19)10-3-1-2-6-18-10/h1-7H,17H2.
What are the key properties of [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone has a molecular weight of 282.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118814135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).