5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one

C17H15F3N6O7 — CID 161171536

IUPAC5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one
SMILESCOc1ncc(F)cc1N.COc1ncc(F)cc1[N+](=O)[O-].O=c1[nH]cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5FN2O3.C6H7FN2O.C5H3FN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6;1-10-6-5(8)2-4(7)3-9-6;6-3-1-4(8(10)11)5(9)7-2-3/h2-3H,1H3;2-3H,8H2,1H3;1-2H,(H,7,9)
InChIKeyURFYOKHXATWKQZ-UHFFFAOYSA-N
MW472.34 g/mol
LogP2.37
Rot. Bonds4

About 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one

5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one (PubChem CID 161171536) has the molecular formula C17H15F3N6O7 and a molecular weight of 472.34 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one
PubChem CID161171536
Molecular FormulaC17H15F3N6O7
Molecular Weight472.34 g/mol
Exact Mass472.10
IUPAC Name5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one
SMILESCOc1ncc(F)cc1N.COc1ncc(F)cc1[N+](=O)[O-].O=c1[nH]cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5FN2O3.C6H7FN2O.C5H3FN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6;1-10-6-5(8)2-4(7)3-9-6;6-3-1-4(8(10)11)5(9)7-2-3/h2-3H,1H3;2-3H,8H2,1H3;1-2H,(H,7,9)
InChIKeyURFYOKHXATWKQZ-UHFFFAOYSA-N
XLogP2.37
TPSA189.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-nitro-1H-pyridin-2-one;(5-fluoro-3-nitro-2-pyridinyl) 4-methylbenzenesulfonate
CID 158863975
5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one
CID 158439943
(6-methoxy-5-nitro-3-pyridinyl)hydrazine
CID 169171499
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
3,4-difluoro-2-methoxy-5-nitropyridine
CID 174616976
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
CID 88875877
CID 88875877
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine
CID 124675029
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870
3-(6-methoxy-5-nitro-3-pyridinyl)prop-2-yne-1-thiol
CID 169487168

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one (CID 161171536) is 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one is COc1ncc(F)cc1N.COc1ncc(F)cc1[N+](=O)[O-].O=c1[nH]cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one?
The InChIKey is URFYOKHXATWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O3.C6H7FN2O.C5H3FN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6;1-10-6-5(8)2-4(7)3-9-6;6-3-1-4(8(10)11)5(9)7-2-3/h2-3H,1H3;2-3H,8H2,1H3;1-2H,(H,7,9).
What are the key properties of 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one?
5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one has a molecular weight of 472.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-nitropyridine;5-fluoro-2-methoxypyridin-3-amine;5-fluoro-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 161171536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).