5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine

C12H8Cl2N2O3 — CID 133087485

IUPAC5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
SMILESCOc1ncc(-c2c(Cl)cccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8Cl2N2O3/c1-19-12-10(16(17)18)5-7(6-15-12)11-8(13)3-2-4-9(11)14/h2-6H,1H3
InChIKeyXOCKXOMMTYFGRU-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.97
Rot. Bonds3

About 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine

5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine (PubChem CID 133087485) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
PubChem CID133087485
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
SMILESCOc1ncc(-c2c(Cl)cccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8Cl2N2O3/c1-19-12-10(16(17)18)5-7(6-15-12)11-8(13)3-2-4-9(11)14/h2-6H,1H3
InChIKeyXOCKXOMMTYFGRU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(2,6-dichlorophenyl)-3-nitropyridine
CID 133087508
3-(2,6-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087502
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
CID 88875877
CID 88875877
(6-methoxy-5-nitro-3-pyridinyl)hydrazine
CID 169171499
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
5-(3,4-dinitrophenyl)-4,6-dimethoxypyrimidine
CID 13449232
3-methoxy-2-nitro-5-(2,3,6-trichlorophenyl)pyridine
CID 133087496
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
CID 103583764
3-(6-methoxy-5-nitro-3-pyridinyl)prop-2-yne-1-thiol
CID 169487168
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine?
The IUPAC name of 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine (CID 133087485) is 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine?
The canonical SMILES for 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine is COc1ncc(-c2c(Cl)cccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine?
The InChIKey is XOCKXOMMTYFGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c1-19-12-10(16(17)18)5-7(6-15-12)11-8(13)3-2-4-9(11)14/h2-6H,1H3.
What are the key properties of 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine?
5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine has a molecular weight of 299.11 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine is sourced from PubChem (CID 133087485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).