[2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol

C16H16BrN3O — CID 111432960

IUPAC[2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccccc1CNCc1cnc2ccc(Br)cn12
InChIInChI=1S/C16H16BrN3O/c17-14-5-6-16-19-9-15(20(16)10-14)8-18-7-12-3-1-2-4-13(12)11-21/h1-6,9-10,18,21H,7-8,11H2
InChIKeyIUKNULMBVUVMEU-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.88
Rot. Bonds5

About [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol

[2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol (PubChem CID 111432960) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol
PubChem CID111432960
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name[2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccccc1CNCc1cnc2ccc(Br)cn12
InChIInChI=1S/C16H16BrN3O/c17-14-5-6-16-19-9-15(20(16)10-14)8-18-7-12-3-1-2-4-13(12)11-21/h1-6,9-10,18,21H,7-8,11H2
InChIKeyIUKNULMBVUVMEU-UHFFFAOYSA-N
XLogP2.88
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylpropan-2-amine
CID 115651962
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115651289
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]cyclopentanamine
CID 117256170
2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol
CID 111466426
6-bromo-3-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 117256189
3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824989
1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
CID 79166858
6-bromo-3-[(2-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256192
2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 171679111
N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-quinolin-8-ylmethanamine
CID 166202189
2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
CID 154958995

Frequently Asked Questions

What is the IUPAC name of [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol (CID 111432960) is [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol is OCc1ccccc1CNCc1cnc2ccc(Br)cn12.
What is the InChIKey of [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is IUKNULMBVUVMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-14-5-6-16-19-9-15(20(16)10-14)8-18-7-12-3-1-2-4-13(12)11-21/h1-6,9-10,18,21H,7-8,11H2.
What are the key properties of [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol?
[2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 346.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 111432960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).