2-fluoro-4-iodo-3-nitropyridine

C5H2FIN2O2 — CID 130822930

IUPAC2-fluoro-4-iodo-3-nitropyridine
SMILESO=[N+]([O-])c1c(I)ccnc1F
InChIInChI=1S/C5H2FIN2O2/c6-5-4(9(10)11)3(7)1-2-8-5/h1-2H
InChIKeyBCYASLRBYFUADQ-UHFFFAOYSA-N
MW267.98 g/mol
LogP1.73
Rot. Bonds1

About 2-fluoro-4-iodo-3-nitropyridine

2-fluoro-4-iodo-3-nitropyridine (PubChem CID 130822930) has the molecular formula C5H2FIN2O2 and a molecular weight of 267.98 g/mol. Its IUPAC name is 2-fluoro-4-iodo-3-nitropyridine.

Molecular Properties

Compound Name2-fluoro-4-iodo-3-nitropyridine
PubChem CID130822930
Molecular FormulaC5H2FIN2O2
Molecular Weight267.98 g/mol
Exact Mass267.91
IUPAC Name2-fluoro-4-iodo-3-nitropyridine
SMILESO=[N+]([O-])c1c(I)ccnc1F
InChIInChI=1S/C5H2FIN2O2/c6-5-4(9(10)11)3(7)1-2-8-5/h1-2H
InChIKeyBCYASLRBYFUADQ-UHFFFAOYSA-N
XLogP1.73
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.98
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

4-fluoro-5-iodo-3-nitropyridin-2-amine
CID 135394926
3-fluoro-2-iodo-4-nitropyridine
CID 130867110
7-iodo-8-nitroquinoline
CID 133062974
6-iodo-5-nitroquinoline
CID 119093453
1-fluoro-4-iodo-3-nitro-2-(trifluoromethyl)benzene
CID 171013038
1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
CID 23234800
4-(difluoromethyl)-3-iodo-2-nitropyridine
CID 118807047
2-fluoro-4-iodopyridine-3-sulfonamide
CID 130882382
1-bromo-3-iodo-2-nitrobenzene
CID 66891034
2-fluoro-3-hydroperoxy-4-iodopyridine
CID 163928506
2-fluoro-4-iodo-3-nitrobenzoyl chloride
CID 171013171
6-iodo-7-nitro-1,3-benzothiazole
CID 101405062

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-3-nitropyridine?
The IUPAC name of 2-fluoro-4-iodo-3-nitropyridine (CID 130822930) is 2-fluoro-4-iodo-3-nitropyridine.
What is the SMILES notation for 2-fluoro-4-iodo-3-nitropyridine?
The canonical SMILES for 2-fluoro-4-iodo-3-nitropyridine is O=[N+]([O-])c1c(I)ccnc1F.
What is the InChIKey of 2-fluoro-4-iodo-3-nitropyridine?
The InChIKey is BCYASLRBYFUADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2FIN2O2/c6-5-4(9(10)11)3(7)1-2-8-5/h1-2H.
What are the key properties of 2-fluoro-4-iodo-3-nitropyridine?
2-fluoro-4-iodo-3-nitropyridine has a molecular weight of 267.98 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-3-nitropyridine is sourced from PubChem (CID 130822930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).