3-fluoro-5-nitropyridine-4-carbonitrile

C6H2FN3O2 — CID 131169176

IUPAC3-fluoro-5-nitropyridine-4-carbonitrile
SMILESN#Cc1c(F)cncc1[N+](=O)[O-]
InChIInChI=1S/C6H2FN3O2/c7-5-2-9-3-6(10(11)12)4(5)1-8/h2-3H
InChIKeyTYEJZLOCXMTSCX-UHFFFAOYSA-N
MW167.10 g/mol
LogP1.00
Rot. Bonds1

About 3-fluoro-5-nitropyridine-4-carbonitrile

3-fluoro-5-nitropyridine-4-carbonitrile (PubChem CID 131169176) has the molecular formula C6H2FN3O2 and a molecular weight of 167.10 g/mol. Its IUPAC name is 3-fluoro-5-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-fluoro-5-nitropyridine-4-carbonitrile
PubChem CID131169176
Molecular FormulaC6H2FN3O2
Molecular Weight167.10 g/mol
Exact Mass167.01
IUPAC Name3-fluoro-5-nitropyridine-4-carbonitrile
SMILESN#Cc1c(F)cncc1[N+](=O)[O-]
InChIInChI=1S/C6H2FN3O2/c7-5-2-9-3-6(10(11)12)4(5)1-8/h2-3H
InChIKeyTYEJZLOCXMTSCX-UHFFFAOYSA-N
XLogP1.00
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-nitropyridine-4-carbonitrile?
The IUPAC name of 3-fluoro-5-nitropyridine-4-carbonitrile (CID 131169176) is 3-fluoro-5-nitropyridine-4-carbonitrile.
What is the SMILES notation for 3-fluoro-5-nitropyridine-4-carbonitrile?
The canonical SMILES for 3-fluoro-5-nitropyridine-4-carbonitrile is N#Cc1c(F)cncc1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-5-nitropyridine-4-carbonitrile?
The InChIKey is TYEJZLOCXMTSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2FN3O2/c7-5-2-9-3-6(10(11)12)4(5)1-8/h2-3H.
What are the key properties of 3-fluoro-5-nitropyridine-4-carbonitrile?
3-fluoro-5-nitropyridine-4-carbonitrile has a molecular weight of 167.10 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitropyridine-4-carbonitrile is sourced from PubChem (CID 131169176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).