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

C15H13FN2 — CID 10331863

IUPAC2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine
SMILESCc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1
InChIInChI=1S/C15H13FN2/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
InChIKeyMEDCLNYIYBERKO-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.82
Rot. Bonds

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

2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine (PubChem CID 10331863) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine
PubChem CID10331863
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine
SMILESCc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1
InChIInChI=1S/C15H13FN2/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
InChIKeyMEDCLNYIYBERKO-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.82
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?
The IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine (CID 10331863) is 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine is Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine?
The InChIKey is MEDCLNYIYBERKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/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.
What are the key properties of 2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine?
2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine has a molecular weight of 240.28 g/mol, XLogP of 2.82, 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 is sourced from PubChem (CID 10331863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).