2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine

C11H10FN — CID 122242641

IUPAC2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine
SMILESCc1cnc(C#CC2CC2)c(F)c1
InChIInChI=1S/C11H10FN/c1-8-6-10(12)11(13-7-8)5-4-9-2-3-9/h6-7,9H,2-3H2,1H3
InChIKeyPIZZERRFXPVIKM-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.29
Rot. Bonds

About 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine

2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine (PubChem CID 122242641) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine.

Molecular Properties

Compound Name2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine
PubChem CID122242641
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine
SMILESCc1cnc(C#CC2CC2)c(F)c1
InChIInChI=1S/C11H10FN/c1-8-6-10(12)11(13-7-8)5-4-9-2-3-9/h6-7,9H,2-3H2,1H3
InChIKeyPIZZERRFXPVIKM-UHFFFAOYSA-N
XLogP2.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-cyclopropylethynyl)-3-fluoro-5-methylpyridine?
The IUPAC name of 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine (CID 122242641) is 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine.
What is the SMILES notation for 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine?
The canonical SMILES for 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine is Cc1cnc(C#CC2CC2)c(F)c1.
What is the InChIKey of 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine?
The InChIKey is PIZZERRFXPVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-8-6-10(12)11(13-7-8)5-4-9-2-3-9/h6-7,9H,2-3H2,1H3.
What are the key properties of 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine?
2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine has a molecular weight of 175.21 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine is sourced from PubChem (CID 122242641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).