6-chloro-2-iodo-3-nitropyridine

C5H2ClIN2O2 — CID 130882718

IUPAC6-chloro-2-iodo-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1I
InChIInChI=1S/C5H2ClIN2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKeyWZKLPIAQYYBLSW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.25
Rot. Bonds1

About 6-chloro-2-iodo-3-nitropyridine

6-chloro-2-iodo-3-nitropyridine (PubChem CID 130882718) has the molecular formula C5H2ClIN2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 6-chloro-2-iodo-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-iodo-3-nitropyridine
PubChem CID130882718
Molecular FormulaC5H2ClIN2O2
Molecular Weight284.44 g/mol
Exact Mass283.88
IUPAC Name6-chloro-2-iodo-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1I
InChIInChI=1S/C5H2ClIN2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKeyWZKLPIAQYYBLSW-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

N-(6-chloro-3-nitro-2-pyridinyl)methanimine
CID 20671936
6-chloro-3-nitro-2-propan-2-ylpyridine
CID 79079026
6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide
CID 23568379
carboxy-(6-chloro-3-nitro-2-pyridinyl)carbamic acid
CID 87550888
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
6-chloro-3-nitro-2-propylpyridine
CID 20822926
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
6-chloro-5-nitropyridin-2-amine
CID 3069277
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
CID 79079282
3-chloro-2-iodo-4-nitropyridine
CID 131142975

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-iodo-3-nitropyridine?
The IUPAC name of 6-chloro-2-iodo-3-nitropyridine (CID 130882718) is 6-chloro-2-iodo-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-iodo-3-nitropyridine?
The canonical SMILES for 6-chloro-2-iodo-3-nitropyridine is O=[N+]([O-])c1ccc(Cl)nc1I.
What is the InChIKey of 6-chloro-2-iodo-3-nitropyridine?
The InChIKey is WZKLPIAQYYBLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H.
What are the key properties of 6-chloro-2-iodo-3-nitropyridine?
6-chloro-2-iodo-3-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 6-chloro-2-iodo-3-nitropyridine is sourced from PubChem (CID 130882718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).