3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine

C15H13BrN2O — CID 117143084

IUPAC3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine
SMILESCOc1ccn2c(Cc3ccccc3Br)ncc2c1
InChIInChI=1S/C15H13BrN2O/c1-19-13-6-7-18-12(9-13)10-17-15(18)8-11-4-2-3-5-14(11)16/h2-7,9-10H,8H2,1H3
InChIKeyBKQUCUCJSJKVOS-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.70
Rot. Bonds3

About 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine

3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine (PubChem CID 117143084) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine
PubChem CID117143084
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine
SMILESCOc1ccn2c(Cc3ccccc3Br)ncc2c1
InChIInChI=1S/C15H13BrN2O/c1-19-13-6-7-18-12(9-13)10-17-15(18)8-11-4-2-3-5-14(11)16/h2-7,9-10H,8H2,1H3
InChIKeyBKQUCUCJSJKVOS-UHFFFAOYSA-N
XLogP3.70
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine?
The IUPAC name of 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine (CID 117143084) is 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine is COc1ccn2c(Cc3ccccc3Br)ncc2c1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine?
The InChIKey is BKQUCUCJSJKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-19-13-6-7-18-12(9-13)10-17-15(18)8-11-4-2-3-5-14(11)16/h2-7,9-10H,8H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine?
3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine has a molecular weight of 317.19 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-7-methoxyimidazo[1,5-a]pyridine is sourced from PubChem (CID 117143084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).