(4,6-difluoro-3-pyridinyl)-oxidoazanium

C5H4F2N2O — CID 169305039

IUPAC(4,6-difluoro-3-pyridinyl)-oxidoazanium
SMILES[O-][NH2+]c1cnc(F)cc1F
InChIInChI=1S/C5H4F2N2O/c6-3-1-5(7)8-2-4(3)9-10/h1-2H,9H2
InChIKeyJRRPFOMOONZJLQ-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.05
Rot. Bonds1

About (4,6-difluoro-3-pyridinyl)-oxidoazanium

(4,6-difluoro-3-pyridinyl)-oxidoazanium (PubChem CID 169305039) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is (4,6-difluoro-3-pyridinyl)-oxidoazanium.

Molecular Properties

Compound Name(4,6-difluoro-3-pyridinyl)-oxidoazanium
PubChem CID169305039
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name(4,6-difluoro-3-pyridinyl)-oxidoazanium
SMILES[O-][NH2+]c1cnc(F)cc1F
InChIInChI=1S/C5H4F2N2O/c6-3-1-5(7)8-2-4(3)9-10/h1-2H,9H2
InChIKeyJRRPFOMOONZJLQ-UHFFFAOYSA-N
XLogP0.05
TPSA52.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-difluoro-N-oxidopyridin-3-amine
CID 169305040
potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide
CID 166000310
(2,5-difluoro-4-pyridinyl)-trimethylsilane
CID 11298395
2-fluoro-4,5-dimethylpyridine
CID 51600276
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 135190154
(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride
CID 118607014
N'-[(4,6-difluoro-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271663
(2-fluoro-5-methyl-4-pyridinyl)phosphane
CID 162686751
4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 178126543
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
4-tert-butyl-5-chloro-2-fluoropyridine
CID 59233319
5-bromo-4-(difluoromethyl)-2-fluoropyridine
CID 130095003

Frequently Asked Questions

What is the IUPAC name of (4,6-difluoro-3-pyridinyl)-oxidoazanium?
The IUPAC name of (4,6-difluoro-3-pyridinyl)-oxidoazanium (CID 169305039) is (4,6-difluoro-3-pyridinyl)-oxidoazanium.
What is the SMILES notation for (4,6-difluoro-3-pyridinyl)-oxidoazanium?
The canonical SMILES for (4,6-difluoro-3-pyridinyl)-oxidoazanium is [O-][NH2+]c1cnc(F)cc1F.
What is the InChIKey of (4,6-difluoro-3-pyridinyl)-oxidoazanium?
The InChIKey is JRRPFOMOONZJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-3-1-5(7)8-2-4(3)9-10/h1-2H,9H2.
What are the key properties of (4,6-difluoro-3-pyridinyl)-oxidoazanium?
(4,6-difluoro-3-pyridinyl)-oxidoazanium has a molecular weight of 146.10 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-3-pyridinyl)-oxidoazanium is sourced from PubChem (CID 169305039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).