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

C12H7Cl3N2O3 — CID 134636384

IUPAC3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine
SMILESCOc1ccc(-c2ccc(Cl)c(Cl)c2Cl)nc1[N+](=O)[O-]
InChIInChI=1S/C12H7Cl3N2O3/c1-20-9-5-4-8(16-12(9)17(18)19)6-2-3-7(13)11(15)10(6)14/h2-5H,1H3
InChIKeyZQADVWNAAGJGTJ-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.63
Rot. Bonds3

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

3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine (PubChem CID 134636384) has the molecular formula C12H7Cl3N2O3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine.

Molecular Properties

Compound Name3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine
PubChem CID134636384
Molecular FormulaC12H7Cl3N2O3
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine
SMILESCOc1ccc(-c2ccc(Cl)c(Cl)c2Cl)nc1[N+](=O)[O-]
InChIInChI=1S/C12H7Cl3N2O3/c1-20-9-5-4-8(16-12(9)17(18)19)6-2-3-7(13)11(15)10(6)14/h2-5H,1H3
InChIKeyZQADVWNAAGJGTJ-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

3-methoxy-2-nitro-6-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133087472
3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine
CID 134627087
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
3-methoxy-2-nitro-5-(2,3,6-trichlorophenyl)pyridine
CID 133087496
5-methoxy-N-methyl-6-nitropyridine-2-carboxamide
CID 171531875
3-methoxy-2-nitropyridine
CID 556063
N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4817365
2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline
CID 12695180
2-chloro-6-methoxy-3-nitrobenzenethiol
CID 170559954
4-chloro-3-methoxy-2-nitropyridine
CID 118816887
1,2,3-trichloro-4-[3-nitro-4-(trifluoromethoxy)phenyl]benzene
CID 118818582

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine?
The IUPAC name of 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine (CID 134636384) is 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine.
What is the SMILES notation for 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine?
The canonical SMILES for 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine is COc1ccc(-c2ccc(Cl)c(Cl)c2Cl)nc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine?
The InChIKey is ZQADVWNAAGJGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O3/c1-20-9-5-4-8(16-12(9)17(18)19)6-2-3-7(13)11(15)10(6)14/h2-5H,1H3.
What are the key properties of 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine?
3-methoxy-2-nitro-6-(2,3,4-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 3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine is sourced from PubChem (CID 134636384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).