2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine

C12H9ClN2O5S — CID 133384127

IUPAC2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(Cl)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9ClN2O5S/c1-21(18,19)9-3-4-11(10(6-9)15(16)17)20-8-2-5-12(13)14-7-8/h2-7H,1H3
InChIKeyYPQFCFXBFYGWEQ-UHFFFAOYSA-N
MW328.73 g/mol
LogP2.84
Rot. Bonds4

About 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine

2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine (PubChem CID 133384127) has the molecular formula C12H9ClN2O5S and a molecular weight of 328.73 g/mol. Its IUPAC name is 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine
PubChem CID133384127
Molecular FormulaC12H9ClN2O5S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC Name2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(Cl)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9ClN2O5S/c1-21(18,19)9-3-4-11(10(6-9)15(16)17)20-8-2-5-12(13)14-7-8/h2-7H,1H3
InChIKeyYPQFCFXBFYGWEQ-UHFFFAOYSA-N
XLogP2.84
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

1,2-dichloro-4-(4-methylsulfonyl-2-nitrophenoxy)benzene
CID 514866
4-(4-methylsulfonyl-2-nitrophenoxy)aniline
CID 61027295
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479
methyl 4-(4-methylsulfonyl-2-nitrophenoxy)benzoate
CID 9280990
5-[(6-chloro-3-pyridinyl)oxy]-8-nitroisoquinoline
CID 133384113
4-fluoro-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 60592221
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
5-(4-methylsulfonyl-2-nitrophenoxy)-2,3-dihydroinden-1-one
CID 133486345
4-(3,4-dichlorophenoxy)-N-methyl-3-nitrobenzenesulfonamide
CID 9281906
1-(2-methoxyphenoxy)-4-methylsulfonyl-2-nitrobenzene
CID 66999029
4-fluoro-1-(3-methylsulfonylphenoxy)-2-nitrobenzene
CID 60504667
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine?
The IUPAC name of 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine (CID 133384127) is 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine.
What is the SMILES notation for 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine?
The canonical SMILES for 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine is CS(=O)(=O)c1ccc(Oc2ccc(Cl)nc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine?
The InChIKey is YPQFCFXBFYGWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O5S/c1-21(18,19)9-3-4-11(10(6-9)15(16)17)20-8-2-5-12(13)14-7-8/h2-7H,1H3.
What are the key properties of 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine?
2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine has a molecular weight of 328.73 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine is sourced from PubChem (CID 133384127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).