4-chloro-2-iodo-6-nitropyridine

C5H2ClIN2O2 — CID 118839728

IUPAC4-chloro-2-iodo-6-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)cc(I)n1
InChIInChI=1S/C5H2ClIN2O2/c6-3-1-4(7)8-5(2-3)9(10)11/h1-2H
InChIKeyFHHPSZPFPHLGMJ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.25
Rot. Bonds1

About 4-chloro-2-iodo-6-nitropyridine

4-chloro-2-iodo-6-nitropyridine (PubChem CID 118839728) has the molecular formula C5H2ClIN2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-chloro-2-iodo-6-nitropyridine.

Molecular Properties

Compound Name4-chloro-2-iodo-6-nitropyridine
PubChem CID118839728
Molecular FormulaC5H2ClIN2O2
Molecular Weight284.44 g/mol
Exact Mass283.88
IUPAC Name4-chloro-2-iodo-6-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)cc(I)n1
InChIInChI=1S/C5H2ClIN2O2/c6-3-1-4(7)8-5(2-3)9(10)11/h1-2H
InChIKeyFHHPSZPFPHLGMJ-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

2,4-dichloro-6-nitropyrimidine
CID 19391209
4-chloro-2-nitropyridine
CID 2762847
methyl 2-(4-chloro-6-nitro-2-pyridinyl)acetate
CID 133097720
2,3-dichloro-4,6-dinitropyridine
CID 71429452
4-chloro-2,6-dinitrophenolate
CID 36690453
2-bromo-3-chloro-4-methyl-6-nitropyridine
CID 118994473
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
2-chloro-3-fluoro-6-nitropyridine
CID 119018246
5-chloro-3-iodo-2-nitrobenzamide
CID 171005064
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
CID 133087448
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-iodo-6-nitropyridine?
The IUPAC name of 4-chloro-2-iodo-6-nitropyridine (CID 118839728) is 4-chloro-2-iodo-6-nitropyridine.
What is the SMILES notation for 4-chloro-2-iodo-6-nitropyridine?
The canonical SMILES for 4-chloro-2-iodo-6-nitropyridine is O=[N+]([O-])c1cc(Cl)cc(I)n1.
What is the InChIKey of 4-chloro-2-iodo-6-nitropyridine?
The InChIKey is FHHPSZPFPHLGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN2O2/c6-3-1-4(7)8-5(2-3)9(10)11/h1-2H.
What are the key properties of 4-chloro-2-iodo-6-nitropyridine?
4-chloro-2-iodo-6-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 4-chloro-2-iodo-6-nitropyridine is sourced from PubChem (CID 118839728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).