3-fluoro-5-nitro-2-(triazol-1-yl)pyridine

C7H4FN5O2 — CID 133058094

IUPAC3-fluoro-5-nitro-2-(triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnc(-n2ccnn2)c(F)c1
InChIInChI=1S/C7H4FN5O2/c8-6-3-5(13(14)15)4-9-7(6)12-2-1-10-11-12/h1-4H
InChIKeyVVLCGKCJHBKIBD-UHFFFAOYSA-N
MW209.14 g/mol
LogP0.71
Rot. Bonds2

About 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine

3-fluoro-5-nitro-2-(triazol-1-yl)pyridine (PubChem CID 133058094) has the molecular formula C7H4FN5O2 and a molecular weight of 209.14 g/mol. Its IUPAC name is 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-5-nitro-2-(triazol-1-yl)pyridine
PubChem CID133058094
Molecular FormulaC7H4FN5O2
Molecular Weight209.14 g/mol
Exact Mass209.03
IUPAC Name3-fluoro-5-nitro-2-(triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnc(-n2ccnn2)c(F)c1
InChIInChI=1S/C7H4FN5O2/c8-6-3-5(13(14)15)4-9-7(6)12-2-1-10-11-12/h1-4H
InChIKeyVVLCGKCJHBKIBD-UHFFFAOYSA-N
XLogP0.71
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 50.71
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-bromo-5-nitro-2-(triazol-1-yl)pyridine
CID 133054234
5-bromo-3-nitro-2-(triazol-1-yl)pyridine
CID 133061285
1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058725
(3S)-1-(3-fluoro-5-nitro-2-pyridinyl)-3-methylpiperazine
CID 177354867
1-[(2-fluoro-4-nitrophenyl)methyl]triazole
CID 86816515
(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol
CID 161147276
2-fluoro-5-nitropyridin-3-ol
CID 130057663
2-nitro-3-(triazol-1-yl)pyridine
CID 135041592
3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 161358659
5-methoxy-6-(triazol-1-yl)pyridin-3-amine
CID 133056627
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
2-[1-(3-methyl-5-nitro-2-pyridinyl)imidazol-2-yl]ethanamine
CID 62476232

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine?
The IUPAC name of 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine (CID 133058094) is 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine.
What is the SMILES notation for 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine?
The canonical SMILES for 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine is O=[N+]([O-])c1cnc(-n2ccnn2)c(F)c1.
What is the InChIKey of 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine?
The InChIKey is VVLCGKCJHBKIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN5O2/c8-6-3-5(13(14)15)4-9-7(6)12-2-1-10-11-12/h1-4H.
What are the key properties of 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine?
3-fluoro-5-nitro-2-(triazol-1-yl)pyridine has a molecular weight of 209.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitro-2-(triazol-1-yl)pyridine is sourced from PubChem (CID 133058094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).