3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol

C14H11ClN2O — CID 117146925

IUPAC3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol
SMILESOc1cccc(Cc2ncc3c(Cl)cccn23)c1
InChIInChI=1S/C14H11ClN2O/c15-12-5-2-6-17-13(12)9-16-14(17)8-10-3-1-4-11(18)7-10/h1-7,9,18H,8H2
InChIKeyMWAMAQDGCQJPKV-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.28
Rot. Bonds2

About 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol

3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol (PubChem CID 117146925) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol
PubChem CID117146925
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol
SMILESOc1cccc(Cc2ncc3c(Cl)cccn23)c1
InChIInChI=1S/C14H11ClN2O/c15-12-5-2-6-17-13(12)9-16-14(17)8-10-3-1-4-11(18)7-10/h1-7,9,18H,8H2
InChIKeyMWAMAQDGCQJPKV-UHFFFAOYSA-N
XLogP3.28
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol?
The IUPAC name of 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol (CID 117146925) is 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol is Oc1cccc(Cc2ncc3c(Cl)cccn23)c1.
What is the InChIKey of 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol?
The InChIKey is MWAMAQDGCQJPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-5-2-6-17-13(12)9-16-14(17)8-10-3-1-4-11(18)7-10/h1-7,9,18H,8H2.
What are the key properties of 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol?
3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol has a molecular weight of 258.71 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 117146925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).