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AEAINDOVTUDWKZ-UHFFFAOYSA-N

C13H9F3N2O2 — CID 135137851

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(5-hydroxy-2-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(O)cn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)12(20)18-11-6-5-10(19)7-17-11/h1-7,19H,(H,17,18,20)
InChIKeyAEAINDOVTUDWKZ-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.06
Rot. Bonds2

About AEAINDOVTUDWKZ-UHFFFAOYSA-N

AEAINDOVTUDWKZ-UHFFFAOYSA-N (PubChem CID 135137851) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-(5-hydroxy-2-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameAEAINDOVTUDWKZ-UHFFFAOYSA-N
PubChem CID135137851
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC NameN-(5-hydroxy-2-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(O)cn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)12(20)18-11-6-5-10(19)7-17-11/h1-7,19H,(H,17,18,20)
InChIKeyAEAINDOVTUDWKZ-UHFFFAOYSA-N
XLogP3.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of AEAINDOVTUDWKZ-UHFFFAOYSA-N?
The IUPAC name of AEAINDOVTUDWKZ-UHFFFAOYSA-N (CID 135137851) is N-(5-hydroxy-2-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for AEAINDOVTUDWKZ-UHFFFAOYSA-N?
The canonical SMILES for AEAINDOVTUDWKZ-UHFFFAOYSA-N is O=C(Nc1ccc(O)cn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of AEAINDOVTUDWKZ-UHFFFAOYSA-N?
The InChIKey is AEAINDOVTUDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)12(20)18-11-6-5-10(19)7-17-11/h1-7,19H,(H,17,18,20).
What are the key properties of AEAINDOVTUDWKZ-UHFFFAOYSA-N?
AEAINDOVTUDWKZ-UHFFFAOYSA-N has a molecular weight of 282.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for AEAINDOVTUDWKZ-UHFFFAOYSA-N is sourced from PubChem (CID 135137851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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