2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine

C14H11F2N3O2 — CID 65483074

IUPAC2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cccc(OC(F)F)c3)nc2n1
InChIInChI=1S/C14H11F2N3O2/c1-20-11-6-5-10-13(18-11)19-12(17-10)8-3-2-4-9(7-8)21-14(15)16/h2-7,14H,1H3,(H,17,18,19)
InChIKeyWHQLBJDASVZSJF-UHFFFAOYSA-N
MW291.26 g/mol
LogP3.23
Rot. Bonds4

About 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine

2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 65483074) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID65483074
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cccc(OC(F)F)c3)nc2n1
InChIInChI=1S/C14H11F2N3O2/c1-20-11-6-5-10-13(18-11)19-12(17-10)8-3-2-4-9(7-8)21-14(15)16/h2-7,14H,1H3,(H,17,18,19)
InChIKeyWHQLBJDASVZSJF-UHFFFAOYSA-N
XLogP3.23
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine (CID 65483074) is 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(-c3cccc(OC(F)F)c3)nc2n1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is WHQLBJDASVZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-20-11-6-5-10-13(18-11)19-12(17-10)8-3-2-4-9(7-8)21-14(15)16/h2-7,14H,1H3,(H,17,18,19).
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 291.26 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65483074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).