6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile

C17H14BrN3 — CID 66841279

IUPAC6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile
SMILESCN(C)c1ccc(-c2cc3c(C#N)cc(Br)cn3c2)cc1
InChIInChI=1S/C17H14BrN3/c1-20(2)16-5-3-12(4-6-16)14-8-17-13(9-19)7-15(18)11-21(17)10-14/h3-8,10-11H,1-2H3
InChIKeyAUBRXZJCGADEMI-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.31
Rot. Bonds2

About 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile

6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile (PubChem CID 66841279) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile
PubChem CID66841279
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC Name6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile
SMILESCN(C)c1ccc(-c2cc3c(C#N)cc(Br)cn3c2)cc1
InChIInChI=1S/C17H14BrN3/c1-20(2)16-5-3-12(4-6-16)14-8-17-13(9-19)7-15(18)11-21(17)10-14/h3-8,10-11H,1-2H3
InChIKeyAUBRXZJCGADEMI-UHFFFAOYSA-N
XLogP4.31
TPSA31.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
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4-bromo-2-[4-(dimethylamino)anilino]benzonitrile
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2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile
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CID 170871522
5-(dimethylamino)-2-iodobenzonitrile
CID 102420664
2-amino-5-[4-(dimethylamino)phenyl]sulfanylbenzonitrile
CID 622823
5-bromo-2-[3-(dimethylamino)anilino]benzonitrile
CID 114890796
2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile
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CID 4059729

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile?
The IUPAC name of 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile (CID 66841279) is 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile.
What is the SMILES notation for 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile?
The canonical SMILES for 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile is CN(C)c1ccc(-c2cc3c(C#N)cc(Br)cn3c2)cc1.
What is the InChIKey of 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile?
The InChIKey is AUBRXZJCGADEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3/c1-20(2)16-5-3-12(4-6-16)14-8-17-13(9-19)7-15(18)11-21(17)10-14/h3-8,10-11H,1-2H3.
What are the key properties of 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile?
6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile has a molecular weight of 340.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(dimethylamino)phenyl]indolizine-8-carbonitrile is sourced from PubChem (CID 66841279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).