ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate

C10H8BrNO3S — CID 67233406

IUPACethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1ncc2cc(Br)sc2c1O
InChIInChI=1S/C10H8BrNO3S/c1-2-15-10(14)7-8(13)9-5(4-12-7)3-6(11)16-9/h3-4,13H,2H2,1H3
InChIKeyGFRQJDGEMIOKNF-UHFFFAOYSA-N
MW302.15 g/mol
LogP2.94
Rot. Bonds2

About ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate

ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate (PubChem CID 67233406) has the molecular formula C10H8BrNO3S and a molecular weight of 302.15 g/mol. Its IUPAC name is ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
PubChem CID67233406
Molecular FormulaC10H8BrNO3S
Molecular Weight302.15 g/mol
Exact Mass300.94
IUPAC Nameethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1ncc2cc(Br)sc2c1O
InChIInChI=1S/C10H8BrNO3S/c1-2-15-10(14)7-8(13)9-5(4-12-7)3-6(11)16-9/h3-4,13H,2H2,1H3
InChIKeyGFRQJDGEMIOKNF-UHFFFAOYSA-N
XLogP2.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
CID 133055284
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271
ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 166903913
diethyl 5-(bromomethyl)pyridine-2,3-dicarboxylate
CID 141448737
ethyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CID 59291239
ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
CID 13015593
ethyl 2-bromo-5-iodo-1,3-thiazole-4-carboxylate
CID 91903053
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 6-bromo-3-chloropyrazine-2-carboxylate
CID 130955436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate (CID 67233406) is ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate is CCOC(=O)c1ncc2cc(Br)sc2c1O.
What is the InChIKey of ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is GFRQJDGEMIOKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3S/c1-2-15-10(14)7-8(13)9-5(4-12-7)3-6(11)16-9/h3-4,13H,2H2,1H3.
What are the key properties of ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate?
ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 302.15 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 67233406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).