5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine

C12H7Cl4NO — CID 134637828

IUPAC5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
SMILESCOc1ncc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl4NO/c1-18-12-8(4-7(13)5-17-12)6-2-9(14)11(16)10(15)3-6/h2-5H,1H3
InChIKeyKCFXUFTVPQZCGF-UHFFFAOYSA-N
MW323.01 g/mol
LogP5.37
Rot. Bonds2

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

5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine (PubChem CID 134637828) has the molecular formula C12H7Cl4NO and a molecular weight of 323.01 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
PubChem CID134637828
Molecular FormulaC12H7Cl4NO
Molecular Weight323.01 g/mol
Exact Mass320.93
IUPAC Name5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
SMILESCOc1ncc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl4NO/c1-18-12-8(4-7(13)5-17-12)6-2-9(14)11(16)10(15)3-6/h2-5H,1H3
InChIKeyKCFXUFTVPQZCGF-UHFFFAOYSA-N
XLogP5.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.01
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-3-(2,3,5-trichlorophenyl)pyridine
CID 134637303
5-chloro-2-methoxy-3-(2,4,6-trichlorophenyl)pyridine
CID 134635816
2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637897
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
5-chloro-3-(2,4-dichlorophenyl)-2-methoxypyridine
CID 133088213
[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine
CID 91263358
1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine
CID 69363207
5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
5-chloro-3-ethoxy-2-methoxypyridine
CID 53217397
5-chloro-3-ethynyl-2-methoxypyridine
CID 74890929
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
CID 73052207
5-(2,3-dichlorophenyl)-3-fluoro-2-methoxypyridine
CID 133091081

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine?
The IUPAC name of 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine (CID 134637828) is 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine is COc1ncc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine?
The InChIKey is KCFXUFTVPQZCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO/c1-18-12-8(4-7(13)5-17-12)6-2-9(14)11(16)10(15)3-6/h2-5H,1H3.
What are the key properties of 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine?
5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine has a molecular weight of 323.01 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134637828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).