2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine

C14H12ClN3O — CID 63722819

IUPAC2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(COc3cccc(Cl)c3)[nH]c12
InChIInChI=1S/C14H12ClN3O/c1-9-5-6-16-14-13(9)17-12(18-14)8-19-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyCODVAHUDLCIHFN-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.50
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine

2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 63722819) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID63722819
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(COc3cccc(Cl)c3)[nH]c12
InChIInChI=1S/C14H12ClN3O/c1-9-5-6-16-14-13(9)17-12(18-14)8-19-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyCODVAHUDLCIHFN-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine (CID 63722819) is 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccnc2nc(COc3cccc(Cl)c3)[nH]c12.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is CODVAHUDLCIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-9-5-6-16-14-13(9)17-12(18-14)8-19-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine?
2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 273.72 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 63722819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).