ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate

C10H8ClNO3S — CID 13217735

IUPACethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2sc(Cl)cc2c1=O
InChIInChI=1S/C10H8ClNO3S/c1-2-15-10(14)6-4-12-9-5(8(6)13)3-7(11)16-9/h3-4H,2H2,1H3,(H,12,13)
InChIKeyAVJDNGLNSLRRJI-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.42
Rot. Bonds2

About ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate

ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate (PubChem CID 13217735) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
PubChem CID13217735
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Nameethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2sc(Cl)cc2c1=O
InChIInChI=1S/C10H8ClNO3S/c1-2-15-10(14)6-4-12-9-5(8(6)13)3-7(11)16-9/h3-4H,2H2,1H3,(H,12,13)
InChIKeyAVJDNGLNSLRRJI-UHFFFAOYSA-N
XLogP2.42
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073
ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 131722586
ethyl 7-chloro-6-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733849
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one
CID 84669715
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 7-chloro-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 1069432
ethyl 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134667746
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethyl 7-bromo-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 102284659
ethyl 4-methyl-2,6-dioxo-9H-pyrano[3,2-g]quinoline-7-carboxylate
CID 10851683
2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 19100425

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate (CID 13217735) is ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1c[nH]c2sc(Cl)cc2c1=O.
What is the InChIKey of ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is AVJDNGLNSLRRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c1-2-15-10(14)6-4-12-9-5(8(6)13)3-7(11)16-9/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 257.70 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 13217735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).