2-chloro-5-iodo-4-nitropyridine

C5H2ClIN2O2 — CID 131211540

IUPAC2-chloro-5-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)ncc1I
InChIInChI=1S/C5H2ClIN2O2/c6-5-1-4(9(10)11)3(7)2-8-5/h1-2H
InChIKeyBWFULDISDUBPBO-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.25
Rot. Bonds1

About 2-chloro-5-iodo-4-nitropyridine

2-chloro-5-iodo-4-nitropyridine (PubChem CID 131211540) has the molecular formula C5H2ClIN2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-chloro-5-iodo-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-5-iodo-4-nitropyridine
PubChem CID131211540
Molecular FormulaC5H2ClIN2O2
Molecular Weight284.44 g/mol
Exact Mass283.88
IUPAC Name2-chloro-5-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)ncc1I
InChIInChI=1S/C5H2ClIN2O2/c6-5-1-4(9(10)11)3(7)2-8-5/h1-2H
InChIKeyBWFULDISDUBPBO-UHFFFAOYSA-N
XLogP2.25
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.25
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

5-iodo-4-nitro-2-(trifluoromethyl)pyridine
CID 130782981
2-(2-chloro-5-nitro-4-pyridinyl)ethanol
CID 87350535
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
1-bromo-2-chloro-4-iodo-5-nitrobenzene
CID 50999507
1-chloro-2-fluoro-5-iodo-4-nitrobenzene
CID 131559689
ethyl 6-chloro-4-nitropyridine-3-carboxylate
CID 133097776
1-chloro-2-(chloromethyl)-4-iodo-5-nitrobenzene
CID 171006891
2-chloro-4-ethyl-5-iodopyridine
CID 58200728
2-chloro-5-nitro-4-phenoxypyridine
CID 91620332
5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine
CID 5375533
2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile
CID 170737437
2-chloro-4-cyclopentyloxy-5-nitropyridine
CID 170737664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-4-nitropyridine?
The IUPAC name of 2-chloro-5-iodo-4-nitropyridine (CID 131211540) is 2-chloro-5-iodo-4-nitropyridine.
What is the SMILES notation for 2-chloro-5-iodo-4-nitropyridine?
The canonical SMILES for 2-chloro-5-iodo-4-nitropyridine is O=[N+]([O-])c1cc(Cl)ncc1I.
What is the InChIKey of 2-chloro-5-iodo-4-nitropyridine?
The InChIKey is BWFULDISDUBPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN2O2/c6-5-1-4(9(10)11)3(7)2-8-5/h1-2H.
What are the key properties of 2-chloro-5-iodo-4-nitropyridine?
2-chloro-5-iodo-4-nitropyridine has a molecular weight of 284.44 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-4-nitropyridine is sourced from PubChem (CID 131211540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).