6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride

C14H13ClN2 — CID 18454779

IUPAC6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride
SMILESCc1ccc(N)c(C#Cc2ccccc2)n1.Cl
InChIInChI=1S/C14H12N2.ClH/c1-11-7-9-13(15)14(16-11)10-8-12-5-3-2-4-6-12;/h2-7,9H,15H2,1H3;1H
InChIKeyUJYBBBBLJREMCJ-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.79
Rot. Bonds

About 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride

6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride (PubChem CID 18454779) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride
PubChem CID18454779
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride
SMILESCc1ccc(N)c(C#Cc2ccccc2)n1.Cl
InChIInChI=1S/C14H12N2.ClH/c1-11-7-9-13(15)14(16-11)10-8-12-5-3-2-4-6-12;/h2-7,9H,15H2,1H3;1H
InChIKeyUJYBBBBLJREMCJ-UHFFFAOYSA-N
XLogP2.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride?
The IUPAC name of 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride (CID 18454779) is 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride.
What is the SMILES notation for 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride?
The canonical SMILES for 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride is Cc1ccc(N)c(C#Cc2ccccc2)n1.Cl.
What is the InChIKey of 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride?
The InChIKey is UJYBBBBLJREMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.ClH/c1-11-7-9-13(15)14(16-11)10-8-12-5-3-2-4-6-12;/h2-7,9H,15H2,1H3;1H.
What are the key properties of 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride?
6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenylethynyl)pyridin-3-amine;hydrochloride is sourced from PubChem (CID 18454779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).