methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate

C16H16FNO2 — CID 59226570

IUPACmethyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate
SMILESCCCc1ccc(F)c(-c2cccc(C(=O)OC)n2)c1
InChIInChI=1S/C16H16FNO2/c1-3-5-11-8-9-13(17)12(10-11)14-6-4-7-15(18-14)16(19)20-2/h4,6-10H,3,5H2,1-2H3
InChIKeyCRQFKMHJSONZCB-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.63
Rot. Bonds4

About methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate

methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate (PubChem CID 59226570) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate
PubChem CID59226570
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namemethyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate
SMILESCCCc1ccc(F)c(-c2cccc(C(=O)OC)n2)c1
InChIInChI=1S/C16H16FNO2/c1-3-5-11-8-9-13(17)12(10-11)14-6-4-7-15(18-14)16(19)20-2/h4,6-10H,3,5H2,1-2H3
InChIKeyCRQFKMHJSONZCB-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate (CID 59226570) is methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate is CCCc1ccc(F)c(-c2cccc(C(=O)OC)n2)c1.
What is the InChIKey of methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate?
The InChIKey is CRQFKMHJSONZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-3-5-11-8-9-13(17)12(10-11)14-6-4-7-15(18-14)16(19)20-2/h4,6-10H,3,5H2,1-2H3.
What are the key properties of methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate?
methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluoro-5-propylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 59226570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).