3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid

C15H14BrNO2S — CID 102822760

IUPAC3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
SMILESCC1c2ccsc2CCN1c1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C15H14BrNO2S/c1-9-13-3-5-20-14(13)2-4-17(9)12-7-10(15(18)19)6-11(16)8-12/h3,5-9H,2,4H2,1H3,(H,18,19)
InChIKeyGUHHVERJWZCXJW-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.33
Rot. Bonds2

About 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid

3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid (PubChem CID 102822760) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid.

Molecular Properties

Compound Name3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
PubChem CID102822760
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
SMILESCC1c2ccsc2CCN1c1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C15H14BrNO2S/c1-9-13-3-5-20-14(13)2-4-17(9)12-7-10(15(18)19)6-11(16)8-12/h3,5-9H,2,4H2,1H3,(H,18,19)
InChIKeyGUHHVERJWZCXJW-UHFFFAOYSA-N
XLogP4.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 62136637
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-2-carboxylic acid
CID 62239218
3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011245
N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine
CID 62128446
5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103583276
(2,4-dibromophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107952195
1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one
CID 8950060
methyl 4-amino-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoate
CID 82777811
2,2-dimethyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanoic acid
CID 82820623
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396690
2-ethoxy-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 63068667
2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63786834

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid?
The IUPAC name of 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid (CID 102822760) is 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid.
What is the SMILES notation for 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid?
The canonical SMILES for 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid is CC1c2ccsc2CCN1c1cc(Br)cc(C(=O)O)c1.
What is the InChIKey of 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid?
The InChIKey is GUHHVERJWZCXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-9-13-3-5-20-14(13)2-4-17(9)12-7-10(15(18)19)6-11(16)8-12/h3,5-9H,2,4H2,1H3,(H,18,19).
What are the key properties of 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid?
3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid has a molecular weight of 352.25 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid is sourced from PubChem (CID 102822760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).