4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol

C13H14BrN3O — CID 137005536

IUPAC4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
SMILESNC1CCCn2c(-c3ccc(O)cc3)nc(Br)c21
InChIInChI=1S/C13H14BrN3O/c14-12-11-10(15)2-1-7-17(11)13(16-12)8-3-5-9(18)6-4-8/h3-6,10,18H,1-2,7,15H2
InChIKeyAJERJDUWPHPTJF-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.81
Rot. Bonds1

About 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol

4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol (PubChem CID 137005536) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol.

Molecular Properties

Compound Name4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
PubChem CID137005536
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
SMILESNC1CCCn2c(-c3ccc(O)cc3)nc(Br)c21
InChIInChI=1S/C13H14BrN3O/c14-12-11-10(15)2-1-7-17(11)13(16-12)8-3-5-9(18)6-4-8/h3-6,10,18H,1-2,7,15H2
InChIKeyAJERJDUWPHPTJF-UHFFFAOYSA-N
XLogP2.81
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117249982
1-bromo-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117249828
8-amino-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250114
8-hydroxy-3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005540
1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 84611795
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 137004647
1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117249597
3-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117158739
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117153166
9-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-3-ol
CID 105454412
4-[(6R)-1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl]phenol
CID 140703901
1-bromo-8-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117250064

Frequently Asked Questions

What is the IUPAC name of 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol?
The IUPAC name of 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol (CID 137005536) is 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol.
What is the SMILES notation for 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol?
The canonical SMILES for 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol is NC1CCCn2c(-c3ccc(O)cc3)nc(Br)c21.
What is the InChIKey of 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol?
The InChIKey is AJERJDUWPHPTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-12-11-10(15)2-1-7-17(11)13(16-12)8-3-5-9(18)6-4-8/h3-6,10,18H,1-2,7,15H2.
What are the key properties of 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol?
4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol has a molecular weight of 308.18 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol is sourced from PubChem (CID 137005536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).