5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine

C10H10FNO — CID 122241993

IUPAC5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine
SMILESCOCC#Cc1cc(C)c(F)cn1
InChIInChI=1S/C10H10FNO/c1-8-6-9(4-3-5-13-2)12-7-10(8)11/h6-7H,5H2,1-2H3
InChIKeyCQZGSXRDWZVNPK-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.53
Rot. Bonds1

About 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine

5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine (PubChem CID 122241993) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine
PubChem CID122241993
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine
SMILESCOCC#Cc1cc(C)c(F)cn1
InChIInChI=1S/C10H10FNO/c1-8-6-9(4-3-5-13-2)12-7-10(8)11/h6-7H,5H2,1-2H3
InChIKeyCQZGSXRDWZVNPK-UHFFFAOYSA-N
XLogP1.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
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 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine?
The IUPAC name of 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine (CID 122241993) is 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine.
What is the SMILES notation for 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine?
The canonical SMILES for 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine is COCC#Cc1cc(C)c(F)cn1.
What is the InChIKey of 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine?
The InChIKey is CQZGSXRDWZVNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-8-6-9(4-3-5-13-2)12-7-10(8)11/h6-7H,5H2,1-2H3.
What are the key properties of 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine?
5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine has a molecular weight of 179.19 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxyprop-1-ynyl)-4-methylpyridine is sourced from PubChem (CID 122241993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).