6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile

C16H14BrN3O — CID 47077213

IUPAC6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCOC(c3ccc(Br)cc3)C2)nc1
InChIInChI=1S/C16H14BrN3O/c17-14-4-2-13(3-5-14)15-11-20(7-8-21-15)16-6-1-12(9-18)10-19-16/h1-6,10,15H,7-8,11H2
InChIKeyZGDMPEFRLPLCBV-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.29
Rot. Bonds2

About 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile

6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile (PubChem CID 47077213) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile
PubChem CID47077213
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCOC(c3ccc(Br)cc3)C2)nc1
InChIInChI=1S/C16H14BrN3O/c17-14-4-2-13(3-5-14)15-11-20(7-8-21-15)16-6-1-12(9-18)10-19-16/h1-6,10,15H,7-8,11H2
InChIKeyZGDMPEFRLPLCBV-UHFFFAOYSA-N
XLogP3.29
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile 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 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile (CID 47077213) is 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCOC(c3ccc(Br)cc3)C2)nc1.
What is the InChIKey of 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile?
The InChIKey is ZGDMPEFRLPLCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-14-4-2-13(3-5-14)15-11-20(7-8-21-15)16-6-1-12(9-18)10-19-16/h1-6,10,15H,7-8,11H2.
What are the key properties of 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile?
6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile has a molecular weight of 344.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)morpholin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 47077213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).