dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

C17H16BrNO4 — CID 19232500

IUPACdimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO4/c1-9-13(16(20)22-3)15(11-5-7-12(18)8-6-11)14(10(2)19-9)17(21)23-4/h5-8H,1-4H3
InChIKeyVBWBCDDFCNACOW-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.70
Rot. Bonds3

About dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 19232500) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID19232500
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Namedimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO4/c1-9-13(16(20)22-3)15(11-5-7-12(18)8-6-11)14(10(2)19-9)17(21)23-4/h5-8H,1-4H3
InChIKeyVBWBCDDFCNACOW-UHFFFAOYSA-N
XLogP3.70
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 168605054
3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate
CID 71208997
dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232605
methyl 5-(4-bromophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
CID 46769624
methyl 8-bromo-4-(3,5-dibromo-4-hydroxyphenyl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carboxylate
CID 135543126
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232495
methyl 4-amino-2-[(4-bromophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647511
methyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 175668866
ethyl 4-(4-bromophenyl)-5-cyano-6-methoxy-2-methylpyridine-3-carboxylate
CID 57328153
methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
CID 102142816
dimethyl 4-[4-(1-adamantylcarbamoylamino)phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 17255902
methyl 8-(4-bromophenyl)-4,7-dimethyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 135616388

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (CID 19232500) is dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(Br)cc1.
What is the InChIKey of dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is VBWBCDDFCNACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-9-13(16(20)22-3)15(11-5-7-12(18)8-6-11)14(10(2)19-9)17(21)23-4/h5-8H,1-4H3.
What are the key properties of dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 378.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).