N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide

C15H13F3N2O3 — CID 162609023

IUPACN-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide
SMILESCC(c1ccc(Oc2ccc(C(=O)NO)cn2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O3/c1-9(15(16,17)18)10-2-5-12(6-3-10)23-13-7-4-11(8-19-13)14(21)20-22/h2-9,22H,1H3,(H,20,21)
InChIKeyHMZRNZJPFAWGFZ-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.66
Rot. Bonds4

About N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide

N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide (PubChem CID 162609023) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide
PubChem CID162609023
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC NameN-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide
SMILESCC(c1ccc(Oc2ccc(C(=O)NO)cn2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O3/c1-9(15(16,17)18)10-2-5-12(6-3-10)23-13-7-4-11(8-19-13)14(21)20-22/h2-9,22H,1H3,(H,20,21)
InChIKeyHMZRNZJPFAWGFZ-UHFFFAOYSA-N
XLogP3.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
N-hydroxy-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415304
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
6-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenoxy]-N-methylpyridine-3-carboxamide
CID 146305828
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
3-fluoro-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzoic acid
CID 160556906
1-[4-(1,1,1-trifluoropropan-2-yl)phenyl]propan-1-one
CID 143379379
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide (CID 162609023) is N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide is CC(c1ccc(Oc2ccc(C(=O)NO)cn2)cc1)C(F)(F)F.
What is the InChIKey of N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide?
The InChIKey is HMZRNZJPFAWGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-9(15(16,17)18)10-2-5-12(6-3-10)23-13-7-4-11(8-19-13)14(21)20-22/h2-9,22H,1H3,(H,20,21).
What are the key properties of N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide?
N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 162609023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).