N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C14H9F4N5O — CID 122704458

IUPACN-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc[nH]c12)N(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F4N5O/c15-8-3-7(14(16,17)18)4-9(5-8)23(24)12(19)10-1-2-20-13-11(10)21-6-22-13/h1-6,19,24H,(H,20,21,22)/b19-12-
InChIKeyXAZBMWKFJOSHEK-UNOMPAQXSA-N
MW339.25 g/mol
LogP3.34
Rot. Bonds2

About N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 122704458) has the molecular formula C14H9F4N5O and a molecular weight of 339.25 g/mol. Its IUPAC name is N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID122704458
Molecular FormulaC14H9F4N5O
Molecular Weight339.25 g/mol
Exact Mass339.07
IUPAC NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc[nH]c12)N(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F4N5O/c15-8-3-7(14(16,17)18)4-9(5-8)23(24)12(19)10-1-2-20-13-11(10)21-6-22-13/h1-6,19,24H,(H,20,21,22)/b19-12-
InChIKeyXAZBMWKFJOSHEK-UNOMPAQXSA-N
XLogP3.34
TPSA88.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 122704458) is N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is [H]/N=C(/c1ccnc2nc[nH]c12)N(O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is XAZBMWKFJOSHEK-UNOMPAQXSA-N. The full InChI is InChI=1S/C14H9F4N5O/c15-8-3-7(14(16,17)18)4-9(5-8)23(24)12(19)10-1-2-20-13-11(10)21-6-22-13/h1-6,19,24H,(H,20,21,22)/b19-12-.
What are the key properties of N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 339.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 122704458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).