2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine

C12H8Cl2N2O3 — CID 114070716

IUPAC2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine
SMILESCc1cc(Oc2cc([N+](=O)[O-])cc(Cl)n2)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O3/c1-7-4-9(2-3-10(7)13)19-12-6-8(16(17)18)5-11(14)15-12/h2-6H,1H3
InChIKeyYAOSIQBZPBNRHY-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.40
Rot. Bonds3

About 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine

2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine (PubChem CID 114070716) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine
PubChem CID114070716
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine
SMILESCc1cc(Oc2cc([N+](=O)[O-])cc(Cl)n2)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O3/c1-7-4-9(2-3-10(7)13)19-12-6-8(16(17)18)5-11(14)15-12/h2-6H,1H3
InChIKeyYAOSIQBZPBNRHY-UHFFFAOYSA-N
XLogP4.40
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-chloro-6-(4-chloro-2-methylphenoxy)-4-nitropyridine
CID 114070725
2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine
CID 114070718
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
2-chloro-4-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine
CID 114070745
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]thiourea
CID 169357129
4-chloro-2-methylsulfanyl-6-(3-nitrophenoxy)pyrimidine
CID 113221050
5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole
CID 18095134
2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine
CID 114070754
2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
CID 114070707
2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 71834309
(1S)-1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]ethanol
CID 78938640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine (CID 114070716) is 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine is Cc1cc(Oc2cc([N+](=O)[O-])cc(Cl)n2)ccc1Cl.
What is the InChIKey of 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine?
The InChIKey is YAOSIQBZPBNRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c1-7-4-9(2-3-10(7)13)19-12-6-8(16(17)18)5-11(14)15-12/h2-6H,1H3.
What are the key properties of 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine?
2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine has a molecular weight of 299.11 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine is sourced from PubChem (CID 114070716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).