3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine

C12H16FN5O4 — CID 159866203

IUPAC3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine
SMILESC.C.Nc1cccnc1[N+](=O)[O-].O=[N+]([O-])c1ncccc1F
InChIInChI=1S/C5H3FN2O2.C5H5N3O2.2CH4/c2*6-4-2-1-3-7-5(4)8(9)10;;/h1-3H;1-3H,6H2;2*1H4
InChIKeyNRTJKLOLWKJQCQ-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.97
Rot. Bonds2

About 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine

3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine (PubChem CID 159866203) has the molecular formula C12H16FN5O4 and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine.

Molecular Properties

Compound Name3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine
PubChem CID159866203
Molecular FormulaC12H16FN5O4
Molecular Weight313.29 g/mol
Exact Mass313.12
IUPAC Name3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine
SMILESC.C.Nc1cccnc1[N+](=O)[O-].O=[N+]([O-])c1ncccc1F
InChIInChI=1S/C5H3FN2O2.C5H5N3O2.2CH4/c2*6-4-2-1-3-7-5(4)8(9)10;;/h1-3H;1-3H,6H2;2*1H4
InChIKeyNRTJKLOLWKJQCQ-UHFFFAOYSA-N
XLogP2.97
TPSA138.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine?
The IUPAC name of 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine (CID 159866203) is 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine.
What is the SMILES notation for 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine?
The canonical SMILES for 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine is C.C.Nc1cccnc1[N+](=O)[O-].O=[N+]([O-])c1ncccc1F.
What is the InChIKey of 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine?
The InChIKey is NRTJKLOLWKJQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O2.C5H5N3O2.2CH4/c2*6-4-2-1-3-7-5(4)8(9)10;;/h1-3H;1-3H,6H2;2*1H4.
What are the key properties of 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine?
3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine has a molecular weight of 313.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine is sourced from PubChem (CID 159866203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).