9H-carbazole-3-carbonitrile;hydrochloride

C13H9ClN2 — CID 153357556

IUPAC9H-carbazole-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H8N2.ClH/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h1-7,15H;1H
InChIKeyGESCMBYPLRSNSQ-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.61
Rot. Bonds

About 9H-carbazole-3-carbonitrile;hydrochloride

9H-carbazole-3-carbonitrile;hydrochloride (PubChem CID 153357556) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 9H-carbazole-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name9H-carbazole-3-carbonitrile;hydrochloride
PubChem CID153357556
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name9H-carbazole-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H8N2.ClH/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h1-7,15H;1H
InChIKeyGESCMBYPLRSNSQ-UHFFFAOYSA-N
XLogP3.61
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-3-carbonitrile;hydrochloride?
The IUPAC name of 9H-carbazole-3-carbonitrile;hydrochloride (CID 153357556) is 9H-carbazole-3-carbonitrile;hydrochloride.
What is the SMILES notation for 9H-carbazole-3-carbonitrile;hydrochloride?
The canonical SMILES for 9H-carbazole-3-carbonitrile;hydrochloride is Cl.N#Cc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 9H-carbazole-3-carbonitrile;hydrochloride?
The InChIKey is GESCMBYPLRSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2.ClH/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h1-7,15H;1H.
What are the key properties of 9H-carbazole-3-carbonitrile;hydrochloride?
9H-carbazole-3-carbonitrile;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-3-carbonitrile;hydrochloride is sourced from PubChem (CID 153357556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).