5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine

C13H12FN3O4 — CID 124675029

IUPAC5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine
SMILESCOc1ncc(F)cc1[C@@H](C)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O4/c1-8(10-6-9(14)7-16-13(10)20-2)21-11-4-3-5-15-12(11)17(18)19/h3-8H,1-2H3/t8-/m1/s1
InChIKeyYXFNHDJZVDBTLG-MRVPVSSYSA-N
MW293.25 g/mol
LogP2.67
Rot. Bonds5

About 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine

5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine (PubChem CID 124675029) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine
PubChem CID124675029
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine
SMILESCOc1ncc(F)cc1[C@@H](C)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O4/c1-8(10-6-9(14)7-16-13(10)20-2)21-11-4-3-5-15-12(11)17(18)19/h3-8H,1-2H3/t8-/m1/s1
InChIKeyYXFNHDJZVDBTLG-MRVPVSSYSA-N
XLogP2.67
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-methoxy-2-nitropyridine
CID 556063
1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl diphenyl phosphate
CID 168936093
[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl] acetate
CID 168936041
3-[(1R)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]-2-nitropyridine
CID 169290102
(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 103547811
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
2-nitro-3-(4-phenylbutan-2-yloxy)pyridine
CID 60529491
5-bromo-3-[1-[2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-3-pyridinyl]-5-fluorophenyl]ethoxy]-2-nitropyridine
CID 166559820
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
3-(1-fluoroethoxy)-2-methoxypyridine
CID 131995138
N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 18077542

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine?
The IUPAC name of 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine (CID 124675029) is 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine?
The canonical SMILES for 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine is COc1ncc(F)cc1[C@@H](C)Oc1cccnc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine?
The InChIKey is YXFNHDJZVDBTLG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c1-8(10-6-9(14)7-16-13(10)20-2)21-11-4-3-5-15-12(11)17(18)19/h3-8H,1-2H3/t8-/m1/s1.
What are the key properties of 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine?
5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine has a molecular weight of 293.25 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine is sourced from PubChem (CID 124675029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).