7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine

C13H15BrN2S — CID 117144243

IUPAC7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESBrc1ccn2c(CC3CCCCS3)ncc2c1
InChIInChI=1S/C13H15BrN2S/c14-10-4-5-16-11(7-10)9-15-13(16)8-12-3-1-2-6-17-12/h4-5,7,9,12H,1-3,6,8H2
InChIKeyOPYXDWOQTDIDQF-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.92
Rot. Bonds2

About 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine

7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117144243) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117144243
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESBrc1ccn2c(CC3CCCCS3)ncc2c1
InChIInChI=1S/C13H15BrN2S/c14-10-4-5-16-11(7-10)9-15-13(16)8-12-3-1-2-6-17-12/h4-5,7,9,12H,1-3,6,8H2
InChIKeyOPYXDWOQTDIDQF-UHFFFAOYSA-N
XLogP3.92
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
CID 117144241
7-bromo-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 84743877
7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117144283
6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117138003
3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140239
7-bromo-3-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine
CID 117144852
7-bromo-3-cyclohexylimidazo[1,5-a]pyridine
CID 83845316
5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117141673
[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine
CID 117140785
1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117254007
methyl 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142671
3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine
CID 117143877

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine (CID 117144243) is 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine is Brc1ccn2c(CC3CCCCS3)ncc2c1.
What is the InChIKey of 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is OPYXDWOQTDIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c14-10-4-5-16-11(7-10)9-15-13(16)8-12-3-1-2-6-17-12/h4-5,7,9,12H,1-3,6,8H2.
What are the key properties of 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine?
7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 311.25 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117144243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).