6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine

C12H7Cl3N2O3 — CID 134636387

IUPAC6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine
SMILESCOc1ccc([N+](=O)[O-])c(-c2cc(Cl)c(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H7Cl3N2O3/c1-20-10-3-2-9(17(18)19)12(16-10)6-4-7(13)11(15)8(14)5-6/h2-5H,1H3
InChIKeyLDWVHPQNECIHSI-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.63
Rot. Bonds3

About 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine

6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine (PubChem CID 134636387) has the molecular formula C12H7Cl3N2O3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine
PubChem CID134636387
Molecular FormulaC12H7Cl3N2O3
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine
SMILESCOc1ccc([N+](=O)[O-])c(-c2cc(Cl)c(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H7Cl3N2O3/c1-20-10-3-2-9(17(18)19)12(16-10)6-4-7(13)11(15)8(14)5-6/h2-5H,1H3
InChIKeyLDWVHPQNECIHSI-UHFFFAOYSA-N
XLogP4.63
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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

CID 157299402
CID 157299402
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CID 133087521
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CID 53407025
6-methoxy-3-nitro-2-propan-2-ylpyridine
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N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
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2-(2-chlorophenyl)-N-(6-methoxy-3-nitro-2-pyridinyl)acetamide
CID 141373266
1,2,3-trichloro-5-(4-methyl-3-nitrophenyl)benzene
CID 134628498
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
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CID 86241718
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine?
The IUPAC name of 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine (CID 134636387) is 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine is COc1ccc([N+](=O)[O-])c(-c2cc(Cl)c(Cl)c(Cl)c2)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine?
The InChIKey is LDWVHPQNECIHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O3/c1-20-10-3-2-9(17(18)19)12(16-10)6-4-7(13)11(15)8(14)5-6/h2-5H,1H3.
What are the key properties of 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine?
6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine has a molecular weight of 333.56 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2-(3,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134636387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).