7-bromophenanthrene-2-carbonitrile

C15H8BrN — CID 129104826

IUPAC7-bromophenanthrene-2-carbonitrile
SMILESN#Cc1ccc2c(ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H8BrN/c16-13-4-6-15-12(8-13)3-2-11-7-10(9-17)1-5-14(11)15/h1-8H
InChIKeyHVCDZJSMUCLDFJ-UHFFFAOYSA-N
MW282.14 g/mol
LogP4.63
Rot. Bonds

About 7-bromophenanthrene-2-carbonitrile

7-bromophenanthrene-2-carbonitrile (PubChem CID 129104826) has the molecular formula C15H8BrN and a molecular weight of 282.14 g/mol. Its IUPAC name is 7-bromophenanthrene-2-carbonitrile.

Molecular Properties

Compound Name7-bromophenanthrene-2-carbonitrile
PubChem CID129104826
Molecular FormulaC15H8BrN
Molecular Weight282.14 g/mol
Exact Mass280.98
IUPAC Name7-bromophenanthrene-2-carbonitrile
SMILESN#Cc1ccc2c(ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H8BrN/c16-13-4-6-15-12(8-13)3-2-11-7-10(9-17)1-5-14(11)15/h1-8H
InChIKeyHVCDZJSMUCLDFJ-UHFFFAOYSA-N
XLogP4.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromophenanthrene-2-carbonitrile?
The IUPAC name of 7-bromophenanthrene-2-carbonitrile (CID 129104826) is 7-bromophenanthrene-2-carbonitrile.
What is the SMILES notation for 7-bromophenanthrene-2-carbonitrile?
The canonical SMILES for 7-bromophenanthrene-2-carbonitrile is N#Cc1ccc2c(ccc3cc(Br)ccc32)c1.
What is the InChIKey of 7-bromophenanthrene-2-carbonitrile?
The InChIKey is HVCDZJSMUCLDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN/c16-13-4-6-15-12(8-13)3-2-11-7-10(9-17)1-5-14(11)15/h1-8H.
What are the key properties of 7-bromophenanthrene-2-carbonitrile?
7-bromophenanthrene-2-carbonitrile has a molecular weight of 282.14 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromophenanthrene-2-carbonitrile is sourced from PubChem (CID 129104826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).