ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate

C12H10BrNO3S — CID 87562816

IUPACethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc(Br)c1O
InChIInChI=1S/C12H10BrNO3S/c1-2-17-12(16)7-6-8(9-4-3-5-18-9)14-11(13)10(7)15/h3-6,15H,2H2,1H3
InChIKeyNIDXXNKLGVBLKV-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.45
Rot. Bonds3

About ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate

ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate (PubChem CID 87562816) has the molecular formula C12H10BrNO3S and a molecular weight of 328.19 g/mol. Its IUPAC name is ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate
PubChem CID87562816
Molecular FormulaC12H10BrNO3S
Molecular Weight328.19 g/mol
Exact Mass326.96
IUPAC Nameethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc(Br)c1O
InChIInChI=1S/C12H10BrNO3S/c1-2-17-12(16)7-6-8(9-4-3-5-18-9)14-11(13)10(7)15/h3-6,15H,2H2,1H3
InChIKeyNIDXXNKLGVBLKV-UHFFFAOYSA-N
XLogP3.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate 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

ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
diethyl 1,3-dithiophen-2-ylbenzo[f][2]benzothiole-6,7-dicarboxylate
CID 44556988
ethyl 3-oxo-2-prop-2-enyl-6-thiophen-2-ylpyridazine-4-carboxylate
CID 100785362
ethyl 7-(thiophene-2-carbonyl)-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4160728
2,3-dimethyl-6-thiophen-2-ylpyridine-4-carboxamide
CID 154466678
ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 91872812
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 16581844
ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate
CID 594222
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate (CID 87562816) is ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate is CCOC(=O)c1cc(-c2cccs2)nc(Br)c1O.
What is the InChIKey of ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate?
The InChIKey is NIDXXNKLGVBLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3S/c1-2-17-12(16)7-6-8(9-4-3-5-18-9)14-11(13)10(7)15/h3-6,15H,2H2,1H3.
What are the key properties of ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate?
ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate has a molecular weight of 328.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate is sourced from PubChem (CID 87562816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).