dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate

C17H17BrN2O4 — CID 11574703

IUPACdimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(N(C)C)nc(-c2ccc(Br)cc2)c1C(=O)OC
InChIInChI=1S/C17H17BrN2O4/c1-20(2)13-9-12(16(21)23-3)14(17(22)24-4)15(19-13)10-5-7-11(18)8-6-10/h5-9H,1-4H3
InChIKeyRGKRBTQDXCVOME-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.15
Rot. Bonds4

About dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate

dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate (PubChem CID 11574703) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate
PubChem CID11574703
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Namedimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(N(C)C)nc(-c2ccc(Br)cc2)c1C(=O)OC
InChIInChI=1S/C17H17BrN2O4/c1-20(2)13-9-12(16(21)23-3)14(17(22)24-4)15(19-13)10-5-7-11(18)8-6-10/h5-9H,1-4H3
InChIKeyRGKRBTQDXCVOME-UHFFFAOYSA-N
XLogP3.15
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-bromophenyl)-6-iodopyridine-3-carboxylate
CID 154713362
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate
CID 79079263
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
methyl 5-bromo-2-(3-phenylquinoxalin-2-yl)benzoate
CID 132502729
methyl 2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114374866
(5-bromo-2-methoxycarbonylphenyl)-methoxyazanium
CID 143032379
methyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 175668866
methyl 4-[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]-2-methylbenzoate
CID 156694333
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate
CID 102223701

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate (CID 11574703) is dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate is COC(=O)c1cc(N(C)C)nc(-c2ccc(Br)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate?
The InChIKey is RGKRBTQDXCVOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-20(2)13-9-12(16(21)23-3)14(17(22)24-4)15(19-13)10-5-7-11(18)8-6-10/h5-9H,1-4H3.
What are the key properties of dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate?
dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate has a molecular weight of 393.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-bromophenyl)-6-(dimethylamino)pyridine-3,4-dicarboxylate is sourced from PubChem (CID 11574703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).