7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile

C15H13BrN2 — CID 11681597

IUPAC7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCC2)c2ccc(Br)cc12
InChIInChI=1S/C15H13BrN2/c16-12-4-5-13-14(9-12)11(10-17)3-6-15(13)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2
InChIKeyPHZFRLCXTAUVSJ-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.07
Rot. Bonds1

About 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile

7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile (PubChem CID 11681597) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile
PubChem CID11681597
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCC2)c2ccc(Br)cc12
InChIInChI=1S/C15H13BrN2/c16-12-4-5-13-14(9-12)11(10-17)3-6-15(13)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2
InChIKeyPHZFRLCXTAUVSJ-UHFFFAOYSA-N
XLogP4.07
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-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 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile?
The IUPAC name of 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile (CID 11681597) is 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile.
What is the SMILES notation for 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile?
The canonical SMILES for 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile is N#Cc1ccc(N2CCCC2)c2ccc(Br)cc12.
What is the InChIKey of 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile?
The InChIKey is PHZFRLCXTAUVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-12-4-5-13-14(9-12)11(10-17)3-6-15(13)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2.
What are the key properties of 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile?
7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile has a molecular weight of 301.19 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile is sourced from PubChem (CID 11681597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).