dimethyl 5-bromopyridine-2,3-dicarboxylate

C9H8BrNO4 — CID 53423993

IUPACdimethyl 5-bromopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc(Br)cnc1C(=O)OC
InChIInChI=1S/C9H8BrNO4/c1-14-8(12)6-3-5(10)4-11-7(6)9(13)15-2/h3-4H,1-2H3
InChIKeyJYRYOIMMYLBBNZ-UHFFFAOYSA-N
MW274.07 g/mol
LogP1.42
Rot. Bonds2

About dimethyl 5-bromopyridine-2,3-dicarboxylate

dimethyl 5-bromopyridine-2,3-dicarboxylate (PubChem CID 53423993) has the molecular formula C9H8BrNO4 and a molecular weight of 274.07 g/mol. Its IUPAC name is dimethyl 5-bromopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-bromopyridine-2,3-dicarboxylate
PubChem CID53423993
Molecular FormulaC9H8BrNO4
Molecular Weight274.07 g/mol
Exact Mass272.96
IUPAC Namedimethyl 5-bromopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc(Br)cnc1C(=O)OC
InChIInChI=1S/C9H8BrNO4/c1-14-8(12)6-3-5(10)4-11-7(6)9(13)15-2/h3-4H,1-2H3
InChIKeyJYRYOIMMYLBBNZ-UHFFFAOYSA-N
XLogP1.42
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 5-bromopyridine-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
methyl 5-bromo-3-(cyclopropylamino)pyridine-2-carboxylate
CID 176578760
dimethyl 5-[[5,6-bis(methoxycarbonyl)-3-pyridinyl]sulfanyl]pyridine-2,3-dicarboxylate;ethane
CID 163236619
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
CID 102941566
methyl 5-bromo-2-[(E)-dimethylaminomethylideneamino]pyridine-3-carboxylate
CID 118225142
methyl 5-bromo-3-methylpyridine-2-carboxylate;methyl 3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 158691953
methyl 5-bromo-2-[(1-cyanocyclopropyl)amino]pyridine-3-carboxylate
CID 170994093
3-(5-bromo-2-methoxy-3-pyridinyl)-3-oxopropanenitrile;methyl 5-bromo-2-methoxypyridine-3-carboxylate
CID 158631727

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-bromopyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 5-bromopyridine-2,3-dicarboxylate (CID 53423993) is dimethyl 5-bromopyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-bromopyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5-bromopyridine-2,3-dicarboxylate is COC(=O)c1cc(Br)cnc1C(=O)OC.
What is the InChIKey of dimethyl 5-bromopyridine-2,3-dicarboxylate?
The InChIKey is JYRYOIMMYLBBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO4/c1-14-8(12)6-3-5(10)4-11-7(6)9(13)15-2/h3-4H,1-2H3.
What are the key properties of dimethyl 5-bromopyridine-2,3-dicarboxylate?
dimethyl 5-bromopyridine-2,3-dicarboxylate has a molecular weight of 274.07 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-bromopyridine-2,3-dicarboxylate is sourced from PubChem (CID 53423993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).