N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide

C15H13F3N2O2 — CID 135137850

IUPACN-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCC(c1ccc(C(=O)Nc2ccc(O)cn2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2/c1-9(15(16,17)18)10-2-4-11(5-3-10)14(22)20-13-7-6-12(21)8-19-13/h2-9,21H,1H3,(H,19,20,22)
InChIKeyHCCHJZCWSBKWTA-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.71
Rot. Bonds3

About N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide

N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide (PubChem CID 135137850) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
PubChem CID135137850
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCC(c1ccc(C(=O)Nc2ccc(O)cn2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2/c1-9(15(16,17)18)10-2-4-11(5-3-10)14(22)20-13-7-6-12(21)8-19-13/h2-9,21H,1H3,(H,19,20,22)
InChIKeyHCCHJZCWSBKWTA-UHFFFAOYSA-N
XLogP3.71
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The IUPAC name of N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide (CID 135137850) is N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide.
What is the SMILES notation for N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The canonical SMILES for N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide is CC(c1ccc(C(=O)Nc2ccc(O)cn2)cc1)C(F)(F)F.
What is the InChIKey of N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The InChIKey is HCCHJZCWSBKWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-9(15(16,17)18)10-2-4-11(5-3-10)14(22)20-13-7-6-12(21)8-19-13/h2-9,21H,1H3,(H,19,20,22).
What are the key properties of N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide?
N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide has a molecular weight of 310.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-pyridinyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide is sourced from PubChem (CID 135137850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).