6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid

C9H9ClN2O2S — CID 67696728

IUPAC6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCSc1nc2c(cc1Cl)N(C(=O)O)CC2
InChIInChI=1S/C9H9ClN2O2S/c1-15-8-5(10)4-7-6(11-8)2-3-12(7)9(13)14/h4H,2-3H2,1H3,(H,13,14)
InChIKeyUQNUHMMWVLTGCQ-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.50
Rot. Bonds1

About 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid

6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid (PubChem CID 67696728) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid
PubChem CID67696728
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCSc1nc2c(cc1Cl)N(C(=O)O)CC2
InChIInChI=1S/C9H9ClN2O2S/c1-15-8-5(10)4-7-6(11-8)2-3-12(7)9(13)14/h4H,2-3H2,1H3,(H,13,14)
InChIKeyUQNUHMMWVLTGCQ-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-1-(4,4-difluoropentyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 144272264
Thiazolo[5,4-b]pyridin-2(1H)-one, 5-chloro-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-
CID 14423124
Methyl 2-(5-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
CID 14423129
5-Chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 77230908
5-Chloro-1-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 88189901
4-Chloro-5-methylsulfanyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid
CID 139776241
5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 175505580
5-Chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 178139496
5-Heptylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde
CID 177996662

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid?
The IUPAC name of 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid (CID 67696728) is 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid is CSc1nc2c(cc1Cl)N(C(=O)O)CC2.
What is the InChIKey of 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid?
The InChIKey is UQNUHMMWVLTGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c1-15-8-5(10)4-7-6(11-8)2-3-12(7)9(13)14/h4H,2-3H2,1H3,(H,13,14).
What are the key properties of 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid?
6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid has a molecular weight of 244.70 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 67696728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).