1,4-difluoro-5-nitro-2H-pyridine

C5H4F2N2O2 — CID 87768450

IUPAC1,4-difluoro-5-nitro-2H-pyridine
SMILESO=[N+]([O-])C1=CN(F)CC=C1F
InChIInChI=1S/C5H4F2N2O2/c6-4-1-2-8(7)3-5(4)9(10)11/h1,3H,2H2
InChIKeyUAOLRGPXBIIKDO-UHFFFAOYSA-N
MW162.10 g/mol
LogP1.16
Rot. Bonds1

About 1,4-difluoro-5-nitro-2H-pyridine

1,4-difluoro-5-nitro-2H-pyridine (PubChem CID 87768450) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.10 g/mol. Its IUPAC name is 1,4-difluoro-5-nitro-2H-pyridine.

Molecular Properties

Compound Name1,4-difluoro-5-nitro-2H-pyridine
PubChem CID87768450
Molecular FormulaC5H4F2N2O2
Molecular Weight162.10 g/mol
Exact Mass162.02
IUPAC Name1,4-difluoro-5-nitro-2H-pyridine
SMILESO=[N+]([O-])C1=CN(F)CC=C1F
InChIInChI=1S/C5H4F2N2O2/c6-4-1-2-8(7)3-5(4)9(10)11/h1,3H,2H2
InChIKeyUAOLRGPXBIIKDO-UHFFFAOYSA-N
XLogP1.16
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-difluoro-3-nitro-2H-pyridine
CID 21882765
5-fluoro-1-hydroxy-4-nitro-2H-pyridine
CID 87717697
1,5-difluoro-3-nitro-2H-pyridine
CID 139781079
Pyridine, 3-fluoro-1,2-dihydro-1-hydroxy-4-nitro-
CID 45083311
4-nitro-2H-pyridin-1-ium 1-oxide
CID 53411117

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-5-nitro-2H-pyridine?
The IUPAC name of 1,4-difluoro-5-nitro-2H-pyridine (CID 87768450) is 1,4-difluoro-5-nitro-2H-pyridine.
What is the SMILES notation for 1,4-difluoro-5-nitro-2H-pyridine?
The canonical SMILES for 1,4-difluoro-5-nitro-2H-pyridine is O=[N+]([O-])C1=CN(F)CC=C1F.
What is the InChIKey of 1,4-difluoro-5-nitro-2H-pyridine?
The InChIKey is UAOLRGPXBIIKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c6-4-1-2-8(7)3-5(4)9(10)11/h1,3H,2H2.
What are the key properties of 1,4-difluoro-5-nitro-2H-pyridine?
1,4-difluoro-5-nitro-2H-pyridine has a molecular weight of 162.10 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-5-nitro-2H-pyridine is sourced from PubChem (CID 87768450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).