1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol

C12H9BrN2OS — CID 117252089

IUPAC1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
SMILESOc1ccn2c(Cc3cccs3)nc(Br)c2c1
InChIInChI=1S/C12H9BrN2OS/c13-12-10-6-8(16)3-4-15(10)11(14-12)7-9-2-1-5-17-9/h1-6,16H,7H2
InChIKeyMKCFDZVUGJDZDT-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.45
Rot. Bonds2

About 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol

1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol (PubChem CID 117252089) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
PubChem CID117252089
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
SMILESOc1ccn2c(Cc3cccs3)nc(Br)c2c1
InChIInChI=1S/C12H9BrN2OS/c13-12-10-6-8(16)3-4-15(10)11(14-12)7-9-2-1-5-17-9/h1-6,16H,7H2
InChIKeyMKCFDZVUGJDZDT-UHFFFAOYSA-N
XLogP3.45
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117252076
1-bromo-3-phenylimidazo[1,5-a]pyridin-7-ol
CID 117251893
4-(thiophen-2-ylmethyl)phenol
CID 605440
4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol
CID 115741779
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959
3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 17268818
8-bromo-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117137871
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067986
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497
[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040104
1-tert-butyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65039997
[2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117135650

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol (CID 117252089) is 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol is Oc1ccn2c(Cc3cccs3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The InChIKey is MKCFDZVUGJDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2OS/c13-12-10-6-8(16)3-4-15(10)11(14-12)7-9-2-1-5-17-9/h1-6,16H,7H2.
What are the key properties of 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol has a molecular weight of 309.19 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117252089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).