4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide

C14H10F4N2O2 — CID 122140923

IUPAC4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(F)cc2C(F)(F)F)n1
InChIInChI=1S/C14H10F4N2O2/c1-7-2-5-11(21)12(19-7)20-13(22)9-4-3-8(15)6-10(9)14(16,17)18/h2-6,21H,1H3,(H,19,20,22)
InChIKeyPKBRCXOUSXINNK-UHFFFAOYSA-N
MW314.24 g/mol
LogP3.51
Rot. Bonds2

About 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide

4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide (PubChem CID 122140923) has the molecular formula C14H10F4N2O2 and a molecular weight of 314.24 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
PubChem CID122140923
Molecular FormulaC14H10F4N2O2
Molecular Weight314.24 g/mol
Exact Mass314.07
IUPAC Name4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(F)cc2C(F)(F)F)n1
InChIInChI=1S/C14H10F4N2O2/c1-7-2-5-11(21)12(19-7)20-13(22)9-4-3-8(15)6-10(9)14(16,17)18/h2-6,21H,1H3,(H,19,20,22)
InChIKeyPKBRCXOUSXINNK-UHFFFAOYSA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide (CID 122140923) is 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide is Cc1ccc(O)c(NC(=O)c2ccc(F)cc2C(F)(F)F)n1.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide?
The InChIKey is PKBRCXOUSXINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O2/c1-7-2-5-11(21)12(19-7)20-13(22)9-4-3-8(15)6-10(9)14(16,17)18/h2-6,21H,1H3,(H,19,20,22).
What are the key properties of 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide?
4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide has a molecular weight of 314.24 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxy-6-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 122140923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).