dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

C25H22BrCl2NO6 — CID 19232597

IUPACdimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C25H22BrCl2NO6/c1-12-20(24(30)33-4)22(21(13(2)29-12)25(31)34-5)14-9-16(26)23(19(10-14)32-3)35-11-15-17(27)7-6-8-18(15)28/h6-10H,11H2,1-5H3
InChIKeyTYHAVJVNIRONQU-UHFFFAOYSA-N
MW583.26 g/mol
LogP6.60
Rot. Bonds7

About dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 19232597) has the molecular formula C25H22BrCl2NO6 and a molecular weight of 583.26 g/mol. Its IUPAC name is dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID19232597
Molecular FormulaC25H22BrCl2NO6
Molecular Weight583.26 g/mol
Exact Mass581.00
IUPAC Namedimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C25H22BrCl2NO6/c1-12-20(24(30)33-4)22(21(13(2)29-12)25(31)34-5)14-9-16(26)23(19(10-14)32-3)35-11-15-17(27)7-6-8-18(15)28/h6-10H,11H2,1-5H3
InChIKeyTYHAVJVNIRONQU-UHFFFAOYSA-N
XLogP6.60
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.26
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232605
diethyl 4-[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232608
dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232733
diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232642
(E)-3-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 134612729
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896
dimethyl 4-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232537
methyl N-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]carbamate
CID 5009663
ethyl N-[(Z)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]carbamate
CID 6299739
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
(2S)-1-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996976
N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
CID 19659955

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (CID 19232597) is dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1.
What is the InChIKey of dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is TYHAVJVNIRONQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrCl2NO6/c1-12-20(24(30)33-4)22(21(13(2)29-12)25(31)34-5)14-9-16(26)23(19(10-14)32-3)35-11-15-17(27)7-6-8-18(15)28/h6-10H,11H2,1-5H3.
What are the key properties of dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 583.26 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).