4,6-difluoro-N-oxidopyridin-3-amine

C5H3F2N2O- — CID 169305040

IUPAC4,6-difluoro-N-oxidopyridin-3-amine
SMILES[O-]Nc1cnc(F)cc1F
InChIInChI=1S/C5H3F2N2O/c6-3-1-5(7)8-2-4(3)9-10/h1-2,9H/q-1
InChIKeyHQUHJMIMLPLNPE-UHFFFAOYSA-N
MW145.09 g/mol
LogP1.27
Rot. Bonds1

About 4,6-difluoro-N-oxidopyridin-3-amine

4,6-difluoro-N-oxidopyridin-3-amine (PubChem CID 169305040) has the molecular formula C5H3F2N2O- and a molecular weight of 145.09 g/mol. Its IUPAC name is 4,6-difluoro-N-oxidopyridin-3-amine.

Molecular Properties

Compound Name4,6-difluoro-N-oxidopyridin-3-amine
PubChem CID169305040
Molecular FormulaC5H3F2N2O-
Molecular Weight145.09 g/mol
Exact Mass145.02
IUPAC Name4,6-difluoro-N-oxidopyridin-3-amine
SMILES[O-]Nc1cnc(F)cc1F
InChIInChI=1S/C5H3F2N2O/c6-3-1-5(7)8-2-4(3)9-10/h1-2,9H/q-1
InChIKeyHQUHJMIMLPLNPE-UHFFFAOYSA-N
XLogP1.27
TPSA47.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-pyridinyl)-oxidoazanium
CID 169305039
potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide
CID 166000310
(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
CID 66674148
N'-[(4,6-difluoro-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271663
(2,5-difluoro-4-pyridinyl)-trimethylsilane
CID 11298395
2-fluoro-4,5-dimethylpyridine
CID 51600276
(4-cyclopropyloxy-6-fluoro-3-pyridinyl)hydrazine
CID 162687283
(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride
CID 118607014
ethane;N-(6-fluoro-4-methoxy-3-pyridinyl)propanamide
CID 170582954
5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid
CID 156760821
(2-fluoro-5-methyl-4-pyridinyl)phosphane
CID 162686751
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-oxidopyridin-3-amine?
The IUPAC name of 4,6-difluoro-N-oxidopyridin-3-amine (CID 169305040) is 4,6-difluoro-N-oxidopyridin-3-amine.
What is the SMILES notation for 4,6-difluoro-N-oxidopyridin-3-amine?
The canonical SMILES for 4,6-difluoro-N-oxidopyridin-3-amine is [O-]Nc1cnc(F)cc1F.
What is the InChIKey of 4,6-difluoro-N-oxidopyridin-3-amine?
The InChIKey is HQUHJMIMLPLNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2N2O/c6-3-1-5(7)8-2-4(3)9-10/h1-2,9H/q-1.
What are the key properties of 4,6-difluoro-N-oxidopyridin-3-amine?
4,6-difluoro-N-oxidopyridin-3-amine has a molecular weight of 145.09 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-oxidopyridin-3-amine is sourced from PubChem (CID 169305040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).