dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

C24H21ClFNO5 — CID 19232733

IUPACdimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C24H21ClFNO5/c1-13-20(23(28)30-3)22(21(14(2)27-13)24(29)31-4)15-8-10-16(11-9-15)32-12-17-18(25)6-5-7-19(17)26/h5-11H,12H2,1-4H3
InChIKeyMVUFBCKQNJZWEA-UHFFFAOYSA-N
MW457.89 g/mol
LogP5.31
Rot. Bonds6

About dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 19232733) has the molecular formula C24H21ClFNO5 and a molecular weight of 457.89 g/mol. Its IUPAC name is dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID19232733
Molecular FormulaC24H21ClFNO5
Molecular Weight457.89 g/mol
Exact Mass457.11
IUPAC Namedimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C24H21ClFNO5/c1-13-20(23(28)30-3)22(21(14(2)27-13)24(29)31-4)15-8-10-16(11-9-15)32-12-17-18(25)6-5-7-19(17)26/h5-11H,12H2,1-4H3
InChIKeyMVUFBCKQNJZWEA-UHFFFAOYSA-N
XLogP5.31
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.89
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232597
diethyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232718
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46065918
methyl 7-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135792293
methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate
CID 175813154
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83950958
methyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846522
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
[3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 4268978
4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
CID 28856570
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
methyl 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-3H-benzimidazole-5-carboxylate
CID 91902865

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (CID 19232733) is dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is MVUFBCKQNJZWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFNO5/c1-13-20(23(28)30-3)22(21(14(2)27-13)24(29)31-4)15-8-10-16(11-9-15)32-12-17-18(25)6-5-7-19(17)26/h5-11H,12H2,1-4H3.
What are the key properties of dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 457.89 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).