3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol

C14H13N3O — CID 55228667

IUPAC3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESCc1ccnc2nc(Cc3cccc(O)c3)[nH]c12
InChIInChI=1S/C14H13N3O/c1-9-5-6-15-14-13(9)16-12(17-14)8-10-3-2-4-11(18)7-10/h2-7,18H,8H2,1H3,(H,15,16,17)
InChIKeySZXJUUJIQTXICR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.56
Rot. Bonds2

About 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol

3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol (PubChem CID 55228667) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
PubChem CID55228667
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESCc1ccnc2nc(Cc3cccc(O)c3)[nH]c12
InChIInChI=1S/C14H13N3O/c1-9-5-6-15-14-13(9)16-12(17-14)8-10-3-2-4-11(18)7-10/h2-7,18H,8H2,1H3,(H,15,16,17)
InChIKeySZXJUUJIQTXICR-UHFFFAOYSA-N
XLogP2.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The IUPAC name of 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol (CID 55228667) is 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The canonical SMILES for 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol is Cc1ccnc2nc(Cc3cccc(O)c3)[nH]c12.
What is the InChIKey of 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The InChIKey is SZXJUUJIQTXICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-5-6-15-14-13(9)16-12(17-14)8-10-3-2-4-11(18)7-10/h2-7,18H,8H2,1H3,(H,15,16,17).
What are the key properties of 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol?
3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol has a molecular weight of 239.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol is sourced from PubChem (CID 55228667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).