methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate

C14H10Cl3NO3 — CID 134636206

IUPACmethyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO3/c1-20-12-5-8(14(19)21-2)9(6-18-12)13-10(16)3-7(15)4-11(13)17/h3-6H,1-2H3
InChIKeyVWBCSONTQGWMES-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.50
Rot. Bonds3

About methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate

methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate (PubChem CID 134636206) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
PubChem CID134636206
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Namemethyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO3/c1-20-12-5-8(14(19)21-2)9(6-18-12)13-10(16)3-7(15)4-11(13)17/h3-6H,1-2H3
InChIKeyVWBCSONTQGWMES-UHFFFAOYSA-N
XLogP4.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636667
methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate
CID 166163088
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636546
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
methyl 5-amino-2-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133087054
methyl 5-chloro-2-iodopyridine-3-carboxylate
CID 133059273
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate (CID 134636206) is methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate is COC(=O)c1cc(OC)ncc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate?
The InChIKey is VWBCSONTQGWMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c1-20-12-5-8(14(19)21-2)9(6-18-12)13-10(16)3-7(15)4-11(13)17/h3-6H,1-2H3.
What are the key properties of methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate?
methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate has a molecular weight of 346.60 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 134636206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).