[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone

C13H9F3N2O2 — CID 134621330

IUPAC[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone
SMILESNc1ccc(OC(F)(F)F)cc1C(=O)c1cccnc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-4-11(17)10(6-9)12(19)8-2-1-5-18-7-8/h1-7H,17H2
InChIKeyLJWGAYCXDKOQIH-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.79
Rot. Bonds3

About [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone

[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone (PubChem CID 134621330) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone
PubChem CID134621330
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone
SMILESNc1ccc(OC(F)(F)F)cc1C(=O)c1cccnc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-4-11(17)10(6-9)12(19)8-2-1-5-18-7-8/h1-7H,17H2
InChIKeyLJWGAYCXDKOQIH-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
1-[2-amino-5-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 98460898
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
(4-amino-3-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116582102
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
[2-amino-5-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627389
2-amino-N-isoquinolin-4-yl-5-(trifluoromethoxy)benzamide
CID 166085813
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
CID 134621203
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134622086

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone (CID 134621330) is [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone is Nc1ccc(OC(F)(F)F)cc1C(=O)c1cccnc1.
What is the InChIKey of [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The InChIKey is LJWGAYCXDKOQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-4-11(17)10(6-9)12(19)8-2-1-5-18-7-8/h1-7H,17H2.
What are the key properties of [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone?
[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-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 [2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134621330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).