2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid

C9H10BrNO2S — CID 84714397

IUPAC2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid
SMILESCC1Cc2sc(Br)cc2C(C(=O)O)N1
InChIInChI=1S/C9H10BrNO2S/c1-4-2-6-5(3-7(10)14-6)8(11-4)9(12)13/h3-4,8,11H,2H2,1H3,(H,12,13)
InChIKeyXWMVZAKHKOUIES-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.17
Rot. Bonds1

About 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid

2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 84714397) has the molecular formula C9H10BrNO2S and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID84714397
Molecular FormulaC9H10BrNO2S
Molecular Weight276.16 g/mol
Exact Mass274.96
IUPAC Name2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid
SMILESCC1Cc2sc(Br)cc2C(C(=O)O)N1
InChIInChI=1S/C9H10BrNO2S/c1-4-2-6-5(3-7(10)14-6)8(11-4)9(12)13/h3-4,8,11H,2H2,1H3,(H,12,13)
InChIKeyXWMVZAKHKOUIES-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 84705603
5-chloro-6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66008462
8-bromo-5-fluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66007625
7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 79977375
5-ethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66010331
2-bromo-4-oxo-6,7-dihydro-5H-1-benzothiophene-6-carboxylic acid
CID 83920526
(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
CID 70813489
6-methyl-4-oxopiperidine-2-carboxylic acid
CID 78053770
tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate
CID 123606013
(3R)-5-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 156762888
N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide
CID 58686975
2-bromo-5-methyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one
CID 82380146

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid (CID 84714397) is 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid is CC1Cc2sc(Br)cc2C(C(=O)O)N1.
What is the InChIKey of 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is XWMVZAKHKOUIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c1-4-2-6-5(3-7(10)14-6)8(11-4)9(12)13/h3-4,8,11H,2H2,1H3,(H,12,13).
What are the key properties of 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid?
2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 276.16 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 84714397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).