10-chloroanthracene-9-carbonitrile

C15H8ClN — CID 616955

IUPAC10-chloroanthracene-9-carbonitrile
SMILESN#Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C15H8ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H
InChIKeyHQDVTSKVEUHDSQ-UHFFFAOYSA-N
MW237.69 g/mol
LogP4.52
Rot. Bonds

About 10-chloroanthracene-9-carbonitrile

10-chloroanthracene-9-carbonitrile (PubChem CID 616955) has the molecular formula C15H8ClN and a molecular weight of 237.69 g/mol. Its IUPAC name is 10-chloroanthracene-9-carbonitrile.

Molecular Properties

Compound Name10-chloroanthracene-9-carbonitrile
PubChem CID616955
Molecular FormulaC15H8ClN
Molecular Weight237.69 g/mol
Exact Mass237.03
IUPAC Name10-chloroanthracene-9-carbonitrile
SMILESN#Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C15H8ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H
InChIKeyHQDVTSKVEUHDSQ-UHFFFAOYSA-N
XLogP4.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-chloroanthracene-9-carbonitrile?
The IUPAC name of 10-chloroanthracene-9-carbonitrile (CID 616955) is 10-chloroanthracene-9-carbonitrile.
What is the SMILES notation for 10-chloroanthracene-9-carbonitrile?
The canonical SMILES for 10-chloroanthracene-9-carbonitrile is N#Cc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of 10-chloroanthracene-9-carbonitrile?
The InChIKey is HQDVTSKVEUHDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H.
What are the key properties of 10-chloroanthracene-9-carbonitrile?
10-chloroanthracene-9-carbonitrile has a molecular weight of 237.69 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloroanthracene-9-carbonitrile is sourced from PubChem (CID 616955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).