N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide

C11H14F3N3O2 — CID 82788948

IUPACN'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-7-3-4-8(9(15)17-18)10(16-7)19-6-2-5-11(12,13)14/h3-4,18H,2,5-6H2,1H3,(H2,15,17)
InChIKeyIQCGAIZOALDQMH-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.21
Rot. Bonds5

About N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide (PubChem CID 82788948) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
PubChem CID82788948
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-7-3-4-8(9(15)17-18)10(16-7)19-6-2-5-11(12,13)14/h3-4,18H,2,5-6H2,1H3,(H2,15,17)
InChIKeyIQCGAIZOALDQMH-UHFFFAOYSA-N
XLogP2.21
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916311
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 114157502
6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 82788708
N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
CID 77102488
2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916371
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
N'-hydroxy-2-methoxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 106790455
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide (CID 82788948) is N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(OCCCC(F)(F)F)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide?
The InChIKey is IQCGAIZOALDQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7-3-4-8(9(15)17-18)10(16-7)19-6-2-5-11(12,13)14/h3-4,18H,2,5-6H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide has a molecular weight of 277.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 82788948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).