3-chloro-2-iodo-4-nitropyridine

C5H2ClIN2O2 — CID 131142975

IUPAC3-chloro-2-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1ccnc(I)c1Cl
InChIInChI=1S/C5H2ClIN2O2/c6-4-3(9(10)11)1-2-8-5(4)7/h1-2H
InChIKeyKQPKKMQPRPHVSY-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.25
Rot. Bonds1

About 3-chloro-2-iodo-4-nitropyridine

3-chloro-2-iodo-4-nitropyridine (PubChem CID 131142975) has the molecular formula C5H2ClIN2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-chloro-2-iodo-4-nitropyridine.

Molecular Properties

Compound Name3-chloro-2-iodo-4-nitropyridine
PubChem CID131142975
Molecular FormulaC5H2ClIN2O2
Molecular Weight284.44 g/mol
Exact Mass283.88
IUPAC Name3-chloro-2-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1ccnc(I)c1Cl
InChIInChI=1S/C5H2ClIN2O2/c6-4-3(9(10)11)1-2-8-5(4)7/h1-2H
InChIKeyKQPKKMQPRPHVSY-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

3-chloro-2,4-dinitropyridine
CID 174686743
3-fluoro-2-iodo-4-nitropyridine
CID 130867110
3-chloro-2-methyl-4-nitropyridine
CID 21364039
6-chloro-2-iodo-3-nitropyridine
CID 130882718
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075
3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
CID 24729572
3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine
CID 175388180
2,4-dinitropyridin-3-amine
CID 19034991
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
2-ethenyl-4-nitropyridin-3-amine
CID 74891834
2-chloro-5-iodo-4-nitropyridine
CID 131211540

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-iodo-4-nitropyridine?
The IUPAC name of 3-chloro-2-iodo-4-nitropyridine (CID 131142975) is 3-chloro-2-iodo-4-nitropyridine.
What is the SMILES notation for 3-chloro-2-iodo-4-nitropyridine?
The canonical SMILES for 3-chloro-2-iodo-4-nitropyridine is O=[N+]([O-])c1ccnc(I)c1Cl.
What is the InChIKey of 3-chloro-2-iodo-4-nitropyridine?
The InChIKey is KQPKKMQPRPHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN2O2/c6-4-3(9(10)11)1-2-8-5(4)7/h1-2H.
What are the key properties of 3-chloro-2-iodo-4-nitropyridine?
3-chloro-2-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 3-chloro-2-iodo-4-nitropyridine is sourced from PubChem (CID 131142975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).