4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride

C12H11ClN2 — CID 70167248

IUPAC4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride
SMILESCc1cc(C#N)c2ccccc2c1N.Cl
InChIInChI=1S/C12H10N2.ClH/c1-8-6-9(7-13)10-4-2-3-5-11(10)12(8)14;/h2-6H,14H2,1H3;1H
InChIKeyGOSQDRDMFGIRQO-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.02
Rot. Bonds

About 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride

4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride (PubChem CID 70167248) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride
PubChem CID70167248
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride
SMILESCc1cc(C#N)c2ccccc2c1N.Cl
InChIInChI=1S/C12H10N2.ClH/c1-8-6-9(7-13)10-4-2-3-5-11(10)12(8)14;/h2-6H,14H2,1H3;1H
InChIKeyGOSQDRDMFGIRQO-UHFFFAOYSA-N
XLogP3.02
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride?
The IUPAC name of 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride (CID 70167248) is 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride.
What is the SMILES notation for 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride?
The canonical SMILES for 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride is Cc1cc(C#N)c2ccccc2c1N.Cl.
What is the InChIKey of 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride?
The InChIKey is GOSQDRDMFGIRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.ClH/c1-8-6-9(7-13)10-4-2-3-5-11(10)12(8)14;/h2-6H,14H2,1H3;1H.
What are the key properties of 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride?
4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylnaphthalene-1-carbonitrile;hydrochloride is sourced from PubChem (CID 70167248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).