3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine

C11H8F3N3O — CID 171572565

IUPAC3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine
SMILESNc1ccncc1-c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)18-7-1-2-10(17-5-7)8-6-16-4-3-9(8)15/h1-6H,(H2,15,16)
InChIKeyAZIJOHDRWREXSA-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.62
Rot. Bonds2

About 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine

3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine (PubChem CID 171572565) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine
PubChem CID171572565
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine
SMILESNc1ccncc1-c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)18-7-1-2-10(17-5-7)8-6-16-4-3-9(8)15/h1-6H,(H2,15,16)
InChIKeyAZIJOHDRWREXSA-UHFFFAOYSA-N
XLogP2.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-3-amine
CID 114281005
3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 155230831
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
5-(trifluoromethoxy)pyrimidin-2-amine
CID 138532683
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine
CID 178127406
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 135246990
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
[4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174173824
2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole
CID 169162789

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine?
The IUPAC name of 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine (CID 171572565) is 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine.
What is the SMILES notation for 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine?
The canonical SMILES for 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine is Nc1ccncc1-c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine?
The InChIKey is AZIJOHDRWREXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)18-7-1-2-10(17-5-7)8-6-16-4-3-9(8)15/h1-6H,(H2,15,16).
What are the key properties of 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine?
3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine has a molecular weight of 255.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine is sourced from PubChem (CID 171572565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).