2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile

C22H15BrFN3O — CID 122516191

IUPAC2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc3c2c(Br)cn3CCc2ccc(F)cc2)c1
InChIInChI=1S/C22H15BrFN3O/c23-18-14-27(11-9-15-4-6-17(24)7-5-15)19-2-1-3-20(22(18)19)28-21-12-16(13-25)8-10-26-21/h1-8,10,12,14H,9,11H2
InChIKeyUZVWSFMRYUGHGG-UHFFFAOYSA-N
MW436.28 g/mol
LogP5.84
Rot. Bonds5

About 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile

2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile (PubChem CID 122516191) has the molecular formula C22H15BrFN3O and a molecular weight of 436.28 g/mol. Its IUPAC name is 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile
PubChem CID122516191
Molecular FormulaC22H15BrFN3O
Molecular Weight436.28 g/mol
Exact Mass435.04
IUPAC Name2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc3c2c(Br)cn3CCc2ccc(F)cc2)c1
InChIInChI=1S/C22H15BrFN3O/c23-18-14-27(11-9-15-4-6-17(24)7-5-15)19-2-1-3-20(22(18)19)28-21-12-16(13-25)8-10-26-21/h1-8,10,12,14H,9,11H2
InChIKeyUZVWSFMRYUGHGG-UHFFFAOYSA-N
XLogP5.84
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.28
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile (CID 122516191) is 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(Oc2cccc3c2c(Br)cn3CCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile?
The InChIKey is UZVWSFMRYUGHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrFN3O/c23-18-14-27(11-9-15-4-6-17(24)7-5-15)19-2-1-3-20(22(18)19)28-21-12-16(13-25)8-10-26-21/h1-8,10,12,14H,9,11H2.
What are the key properties of 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile?
2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile has a molecular weight of 436.28 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122516191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).