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

C14H11F2N3O — CID 81137452

IUPAC2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3cccc(OC(F)F)c3)nc2n1
InChIInChI=1S/C14H11F2N3O/c1-8-5-6-11-13(17-8)19-12(18-11)9-3-2-4-10(7-9)20-14(15)16/h2-7,14H,1H3,(H,17,18,19)
InChIKeyWTDGSZRSIORJJS-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.53
Rot. Bonds3

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

2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 81137452) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID81137452
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(-c3cccc(OC(F)F)c3)nc2n1
InChIInChI=1S/C14H11F2N3O/c1-8-5-6-11-13(17-8)19-12(18-11)9-3-2-4-10(7-9)20-14(15)16/h2-7,14H,1H3,(H,17,18,19)
InChIKeyWTDGSZRSIORJJS-UHFFFAOYSA-N
XLogP3.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine (CID 81137452) is 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(-c3cccc(OC(F)F)c3)nc2n1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is WTDGSZRSIORJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-8-5-6-11-13(17-8)19-12(18-11)9-3-2-4-10(7-9)20-14(15)16/h2-7,14H,1H3,(H,17,18,19).
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine?
2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 275.26 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81137452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).