1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine

C11H8BrN3 — CID 137014798

IUPAC1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine
SMILESBrc1nc(-c2cc[nH]c2)n2ccccc12
InChIInChI=1S/C11H8BrN3/c12-10-9-3-1-2-6-15(9)11(14-10)8-4-5-13-7-8/h1-7,13H
InChIKeyLXCXIOIXYMJWKT-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.09
Rot. Bonds1

About 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine

1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine (PubChem CID 137014798) has the molecular formula C11H8BrN3 and a molecular weight of 262.11 g/mol. Its IUPAC name is 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine
PubChem CID137014798
Molecular FormulaC11H8BrN3
Molecular Weight262.11 g/mol
Exact Mass260.99
IUPAC Name1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine
SMILESBrc1nc(-c2cc[nH]c2)n2ccccc12
InChIInChI=1S/C11H8BrN3/c12-10-9-3-1-2-6-15(9)11(14-10)8-4-5-13-7-8/h1-7,13H
InChIKeyLXCXIOIXYMJWKT-UHFFFAOYSA-N
XLogP3.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline
CID 116984844
1-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine
CID 28798071
1-bromo-3-(3,4-dimethoxyphenyl)imidazo[1,5-a]pyridine
CID 28798088
1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine
CID 116836587
1-bromo-3-tert-butylimidazo[1,5-a]pyridine
CID 4738514
1-bromo-3-(2,4-difluorophenyl)imidazo[1,5-a]pyridine
CID 116836595
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 84743441
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine
CID 28798022
1-bromo-N,N-dimethyl-3-phenylimidazo[1,5-a]pyridin-7-amine
CID 84744531
1-bromo-3-phenylimidazo[1,5-a]pyridin-7-ol
CID 117251893
1-bromo-6-methyl-3-phenylimidazo[1,5-a]pyridine
CID 84743668
3-[3-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-pyridin-4-one
CID 155115141

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine (CID 137014798) is 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine is Brc1nc(-c2cc[nH]c2)n2ccccc12.
What is the InChIKey of 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine?
The InChIKey is LXCXIOIXYMJWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3/c12-10-9-3-1-2-6-15(9)11(14-10)8-4-5-13-7-8/h1-7,13H.
What are the key properties of 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine?
1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine has a molecular weight of 262.11 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 137014798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).