3-fluoro-2-iodo-4-nitropyridine

C5H2FIN2O2 — CID 130867110

IUPAC3-fluoro-2-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1ccnc(I)c1F
InChIInChI=1S/C5H2FIN2O2/c6-4-3(9(10)11)1-2-8-5(4)7/h1-2H
InChIKeyBUVASAVEAFUPPN-UHFFFAOYSA-N
MW267.98 g/mol
LogP1.73
Rot. Bonds1

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

3-fluoro-2-iodo-4-nitropyridine (PubChem CID 130867110) has the molecular formula C5H2FIN2O2 and a molecular weight of 267.98 g/mol. Its IUPAC name is 3-fluoro-2-iodo-4-nitropyridine.

Molecular Properties

Compound Name3-fluoro-2-iodo-4-nitropyridine
PubChem CID130867110
Molecular FormulaC5H2FIN2O2
Molecular Weight267.98 g/mol
Exact Mass267.91
IUPAC Name3-fluoro-2-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1ccnc(I)c1F
InChIInChI=1S/C5H2FIN2O2/c6-4-3(9(10)11)1-2-8-5(4)7/h1-2H
InChIKeyBUVASAVEAFUPPN-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

3-chloro-2-iodo-4-nitropyridine
CID 131142975
5-fluoro-6-nitroquinoxaline
CID 164822939
2-fluoro-4-iodo-3-nitropyridine
CID 130822930
3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
CID 24729572
2,4-dinitropyridin-3-amine
CID 19034991
3-chloro-2,4-dinitropyridine
CID 174686743
1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 46311780
3-methyl-4-nitropyridin-2-amine
CID 19758038
3-chloro-2-methyl-4-nitropyridine
CID 21364039
6,7-dinitroquinoxaline
CID 2724608
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771649
2-fluoro-1-nitro-3-propan-2-ylbenzene
CID 59860466

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-iodo-4-nitropyridine?
The IUPAC name of 3-fluoro-2-iodo-4-nitropyridine (CID 130867110) is 3-fluoro-2-iodo-4-nitropyridine.
What is the SMILES notation for 3-fluoro-2-iodo-4-nitropyridine?
The canonical SMILES for 3-fluoro-2-iodo-4-nitropyridine is O=[N+]([O-])c1ccnc(I)c1F.
What is the InChIKey of 3-fluoro-2-iodo-4-nitropyridine?
The InChIKey is BUVASAVEAFUPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2FIN2O2/c6-4-3(9(10)11)1-2-8-5(4)7/h1-2H.
What are the key properties of 3-fluoro-2-iodo-4-nitropyridine?
3-fluoro-2-iodo-4-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 3-fluoro-2-iodo-4-nitropyridine is sourced from PubChem (CID 130867110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).