N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride

C8H6ClF3N2O2 — CID 144987991

IUPACN-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride
SMILESON=C(Cl)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C8H6ClF3N2O2/c9-7(14-15)6-2-1-5(3-13-6)16-4-8(10,11)12/h1-3,15H,4H2
InChIKeyFJAIUYIDJVBTBW-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.40
Rot. Bonds3

About N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride

N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride (PubChem CID 144987991) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride
PubChem CID144987991
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC NameN-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride
SMILESON=C(Cl)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C8H6ClF3N2O2/c9-7(14-15)6-2-1-5(3-13-6)16-4-8(10,11)12/h1-3,15H,4H2
InChIKeyFJAIUYIDJVBTBW-UHFFFAOYSA-N
XLogP2.40
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine
CID 12056728
Trimethyl(2-pyridin-3-yloxyethyl)azanium;chloride
CID 9794400
2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10560219
5-[(s)-2-Dimethylamino-1-propyloxy]-2-chloro pyridine
CID 12112021
5-[(S)-2-dimethylamino-1-propyloxy]-2-fluoro pyridine
CID 12112022
5-[(R)-2-dimethylamino-1-propyloxy]-2-fluoro pyridine
CID 12112030
5-[[(2S)-azetidin-2-yl]methoxy]-2-ethenylpyridine
CID 22961867
2-Methyl-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyridine
CID 44318904
{2-[(6-Chloropyridin-3-yl)oxy]ethyl}dimethylamine
CID 44340927
Dimethyl-[2-(6-methyl-pyridin-3-yloxy)-ethyl]-amine
CID 44340957
N-methyl-2-[(6-methyl-3-pyridinyl)oxy]ethanamine
CID 44341059

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride?
The IUPAC name of N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride (CID 144987991) is N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride.
What is the SMILES notation for N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride?
The canonical SMILES for N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride is ON=C(Cl)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride?
The InChIKey is FJAIUYIDJVBTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-7(14-15)6-2-1-5(3-13-6)16-4-8(10,11)12/h1-3,15H,4H2.
What are the key properties of N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride?
N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride has a molecular weight of 254.59 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride is sourced from PubChem (CID 144987991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).