2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine

C15H15Cl2NO3 — CID 15154294

IUPAC2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2cc(Cl)nc(Cl)c2C)cc(OC)c1OC
InChIInChI=1S/C15H15Cl2NO3/c1-8-10(7-13(16)18-15(8)17)9-5-11(19-2)14(21-4)12(6-9)20-3/h5-7H,1-4H3
InChIKeyCQWZVKLVWWHWQD-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.39
Rot. Bonds4

About 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine

2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 15154294) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID15154294
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Name2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2cc(Cl)nc(Cl)c2C)cc(OC)c1OC
InChIInChI=1S/C15H15Cl2NO3/c1-8-10(7-13(16)18-15(8)17)9-5-11(19-2)14(21-4)12(6-9)20-3/h5-7H,1-4H3
InChIKeyCQWZVKLVWWHWQD-UHFFFAOYSA-N
XLogP4.39
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
CID 66312425
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967
2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
CID 53381610
4,5-dimethoxy-2-(3,4,5-trimethoxyphenyl)aniline
CID 89207272
3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 18874648
5-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 888792
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954
acetyl chloride;2,3-dimethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 87951473
2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 82086470
2,6-dichloro-4-methoxy-3-propan-2-ylpyridine
CID 146431908

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine (CID 15154294) is 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine is COc1cc(-c2cc(Cl)nc(Cl)c2C)cc(OC)c1OC.
What is the InChIKey of 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is CQWZVKLVWWHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-8-10(7-13(16)18-15(8)17)9-5-11(19-2)14(21-4)12(6-9)20-3/h5-7H,1-4H3.
What are the key properties of 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine?
2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 328.20 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 15154294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).