3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride

C14H15ClN2O3 — CID 136705411

IUPAC3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCc2cnc(-c3ccc(O)cc3)n2C1
InChIInChI=1S/C14H14N2O3.ClH/c17-12-5-2-9(3-6-12)13-15-7-11-4-1-10(14(18)19)8-16(11)13;/h2-3,5-7,10,17H,1,4,8H2,(H,18,19);1H
InChIKeyBHHGEPWCLPQSJT-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.32
Rot. Bonds2

About 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride

3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride (PubChem CID 136705411) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride
PubChem CID136705411
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCc2cnc(-c3ccc(O)cc3)n2C1
InChIInChI=1S/C14H14N2O3.ClH/c17-12-5-2-9(3-6-12)13-15-7-11-4-1-10(14(18)19)8-16(11)13;/h2-3,5-7,10,17H,1,4,8H2,(H,18,19);1H
InChIKeyBHHGEPWCLPQSJT-UHFFFAOYSA-N
XLogP2.32
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride?
The IUPAC name of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride (CID 136705411) is 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCc2cnc(-c3ccc(O)cc3)n2C1.
What is the InChIKey of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride?
The InChIKey is BHHGEPWCLPQSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.ClH/c17-12-5-2-9(3-6-12)13-15-7-11-4-1-10(14(18)19)8-16(11)13;/h2-3,5-7,10,17H,1,4,8H2,(H,18,19);1H.
What are the key properties of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride?
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride has a molecular weight of 294.74 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 136705411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).