2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride

C15H14ClFN2 — CID 18454771

IUPAC2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride
SMILESCc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1.Cl
InChIInChI=1S/C15H13FN2.ClH/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12;/h3-5,8-9H,17H2,1-2H3;1H
InChIKeyBDXXMGYKLQZXOU-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.24
Rot. Bonds

About 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride

2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride (PubChem CID 18454771) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride
PubChem CID18454771
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride
SMILESCc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1.Cl
InChIInChI=1S/C15H13FN2.ClH/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12;/h3-5,8-9H,17H2,1-2H3;1H
InChIKeyBDXXMGYKLQZXOU-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.24
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 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride?
The IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride (CID 18454771) is 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride is Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1.Cl.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride?
The InChIKey is BDXXMGYKLQZXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2.ClH/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12;/h3-5,8-9H,17H2,1-2H3;1H.
What are the key properties of 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride?
2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride is sourced from PubChem (CID 18454771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).