2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid

C11H8ClNO3S — CID 10707120

IUPAC2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2sc(Cl)cc2c1=O
InChIInChI=1S/C11H8ClNO3S/c12-8-3-6-9(14)7(11(15)16)4-13(5-1-2-5)10(6)17-8/h3-5H,1-2H2,(H,15,16)
InChIKeyOHZJAEVAXCZWLE-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.75
Rot. Bonds2

About 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid

2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 10707120) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID10707120
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2sc(Cl)cc2c1=O
InChIInChI=1S/C11H8ClNO3S/c12-8-3-6-9(14)7(11(15)16)4-13(5-1-2-5)10(6)17-8/h3-5H,1-2H2,(H,15,16)
InChIKeyOHZJAEVAXCZWLE-UHFFFAOYSA-N
XLogP2.75
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide
CID 577401
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
2-chloro-7-[(2S)-1-hydroxypropan-2-yl]-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 46178094
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339
8-chloro-1-cyclopropyl-7-fluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
CID 14700556
5-chloro-1-cyclopropyl-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 86732837
6-chloro-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13337925
6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 154631856
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 131667367
2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
CID 66524263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid (CID 10707120) is 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cn(C2CC2)c2sc(Cl)cc2c1=O.
What is the InChIKey of 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is OHZJAEVAXCZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c12-8-3-6-9(14)7(11(15)16)4-13(5-1-2-5)10(6)17-8/h3-5H,1-2H2,(H,15,16).
What are the key properties of 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 269.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 10707120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).