7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid

C9H6ClNO3S — CID 155463687

IUPAC7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid
SMILESCOc1sc2c(Cl)ccnc2c1C(=O)O
InChIInChI=1S/C9H6ClNO3S/c1-14-9-5(8(12)13)6-7(15-9)4(10)2-3-11-6/h2-3H,1H3,(H,12,13)
InChIKeyQEXYXJJGMLZQQF-UHFFFAOYSA-N
MW243.67 g/mol
LogP2.66
Rot. Bonds2

About 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid

7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 155463687) has the molecular formula C9H6ClNO3S and a molecular weight of 243.67 g/mol. Its IUPAC name is 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid
PubChem CID155463687
Molecular FormulaC9H6ClNO3S
Molecular Weight243.67 g/mol
Exact Mass242.98
IUPAC Name7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid
SMILESCOc1sc2c(Cl)ccnc2c1C(=O)O
InChIInChI=1S/C9H6ClNO3S/c1-14-9-5(8(12)13)6-7(15-9)4(10)2-3-11-6/h2-3H,1H3,(H,12,13)
InChIKeyQEXYXJJGMLZQQF-UHFFFAOYSA-N
XLogP2.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid (CID 155463687) is 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid is COc1sc2c(Cl)ccnc2c1C(=O)O.
What is the InChIKey of 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is QEXYXJJGMLZQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3S/c1-14-9-5(8(12)13)6-7(15-9)4(10)2-3-11-6/h2-3H,1H3,(H,12,13).
What are the key properties of 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid?
7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 243.67 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methoxythieno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 155463687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).