N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide

C8H6F5N3O — CID 154430664

IUPACN'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(C(F)(F)C(F)(F)F)ccn1
InChIInChI=1S/C8H6F5N3O/c9-7(10,8(11,12)13)4-1-2-15-5(3-4)6(14)16-17/h1-3,17H,(H2,14,16)
InChIKeyRCFPKFZERQHORD-UHFFFAOYSA-N
MW255.15 g/mol
LogP1.83
Rot. Bonds2

About N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide

N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide (PubChem CID 154430664) has the molecular formula C8H6F5N3O and a molecular weight of 255.15 g/mol. Its IUPAC name is N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide
PubChem CID154430664
Molecular FormulaC8H6F5N3O
Molecular Weight255.15 g/mol
Exact Mass255.04
IUPAC NameN'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(C(F)(F)C(F)(F)F)ccn1
InChIInChI=1S/C8H6F5N3O/c9-7(10,8(11,12)13)4-1-2-15-5(3-4)6(14)16-17/h1-3,17H,(H2,14,16)
InChIKeyRCFPKFZERQHORD-UHFFFAOYSA-N
XLogP1.83
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide (CID 154430664) is N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide is N/C(=N/O)c1cc(C(F)(F)C(F)(F)F)ccn1.
What is the InChIKey of N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide?
The InChIKey is RCFPKFZERQHORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N3O/c9-7(10,8(11,12)13)4-1-2-15-5(3-4)6(14)16-17/h1-3,17H,(H2,14,16).
What are the key properties of N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide?
N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide has a molecular weight of 255.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 154430664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).