N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine

C8H6ClFN4O — CID 137292783

IUPACN-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine
SMILESONc1cc(Cl)c(-n2nccn2)cc1F
InChIInChI=1S/C8H6ClFN4O/c9-5-3-7(13-15)6(10)4-8(5)14-11-1-2-12-14/h1-4,13,15H
InChIKeyALOJWNQXKZHDKX-UHFFFAOYSA-N
MW228.61 g/mol
LogP1.86
Rot. Bonds2

About N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine

N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine (PubChem CID 137292783) has the molecular formula C8H6ClFN4O and a molecular weight of 228.61 g/mol. Its IUPAC name is N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine
PubChem CID137292783
Molecular FormulaC8H6ClFN4O
Molecular Weight228.61 g/mol
Exact Mass228.02
IUPAC NameN-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine
SMILESONc1cc(Cl)c(-n2nccn2)cc1F
InChIInChI=1S/C8H6ClFN4O/c9-5-3-7(13-15)6(10)4-8(5)14-11-1-2-12-14/h1-4,13,15H
InChIKeyALOJWNQXKZHDKX-UHFFFAOYSA-N
XLogP1.86
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine?
The IUPAC name of N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine (CID 137292783) is N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine.
What is the SMILES notation for N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine?
The canonical SMILES for N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine is ONc1cc(Cl)c(-n2nccn2)cc1F.
What is the InChIKey of N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine?
The InChIKey is ALOJWNQXKZHDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4O/c9-5-3-7(13-15)6(10)4-8(5)14-11-1-2-12-14/h1-4,13,15H.
What are the key properties of N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine?
N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine has a molecular weight of 228.61 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-fluoro-4-(triazol-2-yl)phenyl]hydroxylamine is sourced from PubChem (CID 137292783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).