N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide

C11H10F3N5O — CID 177181235

IUPACN'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C11H10F3N5O/c1-19-5-8(11(12,13)14)17-10(19)7-3-2-6(4-16-7)9(15)18-20/h2-5,20H,1H3,(H2,15,18)
InChIKeyOJGZZEUPYMJKAO-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.60
Rot. Bonds2

About N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide

N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide (PubChem CID 177181235) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide
PubChem CID177181235
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC NameN'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C11H10F3N5O/c1-19-5-8(11(12,13)14)17-10(19)7-3-2-6(4-16-7)9(15)18-20/h2-5,20H,1H3,(H2,15,18)
InChIKeyOJGZZEUPYMJKAO-UHFFFAOYSA-N
XLogP1.60
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N'-hydroxy-6-[4-[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]phenyl]pyridine-3-carboximidamide;hydrochloride
CID 135407885
2-methyl-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 176669250
N'-hydroxy-6-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135676648
N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135447764
2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 71319129
2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
CID 172585714
N'-hydroxy-6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide
CID 77073333
5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine
CID 172788999
N'-hydroxy-2-methylpyrimidine-5-carboximidamide
CID 177352508
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 43187657
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide (CID 177181235) is N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide is Cn1cc(C(F)(F)F)nc1-c1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide?
The InChIKey is OJGZZEUPYMJKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-19-5-8(11(12,13)14)17-10(19)7-3-2-6(4-16-7)9(15)18-20/h2-5,20H,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide?
N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide has a molecular weight of 285.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 177181235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).