(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone

C13H9F3N2O2 — CID 53414396

IUPAC(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESNc1cnccc1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-1-8(2-4-9)12(19)10-5-6-18-7-11(10)17/h1-7H,17H2
InChIKeyKWJWZQRVZGREDQ-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.79
Rot. Bonds3

About (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone

(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 53414396) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID53414396
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESNc1cnccc1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-1-8(2-4-9)12(19)10-5-6-18-7-11(10)17/h1-7H,17H2
InChIKeyKWJWZQRVZGREDQ-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

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Related Compounds

(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621330
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
pyridine;4-[4-(trifluoromethoxy)benzoyl]benzamide
CID 155345914
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 115791642
3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]pyridine-4-carboxylic acid
CID 150580636
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
3-(trifluoromethoxy)pyridine-4-carboxamide
CID 130088898
(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628405
3-chloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carbothioamide
CID 87274125

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone (CID 53414396) is (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone is Nc1cnccc1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is KWJWZQRVZGREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)20-9-3-1-8(2-4-9)12(19)10-5-6-18-7-11(10)17/h1-7H,17H2.
What are the key properties of (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone 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 (3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 53414396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).