4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine

C20H14BrFN2O — CID 151412297

IUPAC4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2Oc2ccc(Br)cc2F)c2cc[nH]c2n1
InChIInChI=1S/C20H14BrFN2O/c1-12-10-16(15-8-9-23-20(15)24-12)14-4-2-3-5-18(14)25-19-7-6-13(21)11-17(19)22/h2-11H,1H3,(H,23,24)
InChIKeyOYTXAPQOJVAKRN-UHFFFAOYSA-N
MW397.25 g/mol
LogP6.23
Rot. Bonds3

About 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine

4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 151412297) has the molecular formula C20H14BrFN2O and a molecular weight of 397.25 g/mol. Its IUPAC name is 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID151412297
Molecular FormulaC20H14BrFN2O
Molecular Weight397.25 g/mol
Exact Mass396.03
IUPAC Name4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2Oc2ccc(Br)cc2F)c2cc[nH]c2n1
InChIInChI=1S/C20H14BrFN2O/c1-12-10-16(15-8-9-23-20(15)24-12)14-4-2-3-5-18(14)25-19-7-6-13(21)11-17(19)22/h2-11H,1H3,(H,23,24)
InChIKeyOYTXAPQOJVAKRN-UHFFFAOYSA-N
XLogP6.23
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.25
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine (CID 151412297) is 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1cc(-c2ccccc2Oc2ccc(Br)cc2F)c2cc[nH]c2n1.
What is the InChIKey of 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OYTXAPQOJVAKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN2O/c1-12-10-16(15-8-9-23-20(15)24-12)14-4-2-3-5-18(14)25-19-7-6-13(21)11-17(19)22/h2-11H,1H3,(H,23,24).
What are the key properties of 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine?
4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 397.25 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2-fluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 151412297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).