5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine

C18H22FNO — CID 19101231

IUPAC5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
SMILESCCCCc1ccc(-c2ccc(OCCC)cc2F)nc1
InChIInChI=1S/C18H22FNO/c1-3-5-6-14-7-10-18(20-13-14)16-9-8-15(12-17(16)19)21-11-4-2/h7-10,12-13H,3-6,11H2,1-2H3
InChIKeyHLZHSZXPAIPONX-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.02
Rot. Bonds7

About 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine

5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine (PubChem CID 19101231) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine.

Molecular Properties

Compound Name5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
PubChem CID19101231
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
SMILESCCCCc1ccc(-c2ccc(OCCC)cc2F)nc1
InChIInChI=1S/C18H22FNO/c1-3-5-6-14-7-10-18(20-13-14)16-9-8-15(12-17(16)19)21-11-4-2/h7-10,12-13H,3-6,11H2,1-2H3
InChIKeyHLZHSZXPAIPONX-UHFFFAOYSA-N
XLogP5.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-(2-fluoro-4-hexoxyphenyl)-5-propylpyridine
CID 19101298
2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
CID 19101199
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-pentylpyridine
CID 19859496
2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]-5-pentylpyridine;2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-hexylpyridine
CID 158808358
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
CID 19859168
2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
CID 19101340
2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
CID 19768408
2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
CID 19101131
2-(2-fluoro-4-hexylphenyl)-5-(4-nonoxyphenyl)pyridine
CID 19859636

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine?
The IUPAC name of 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine (CID 19101231) is 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine.
What is the SMILES notation for 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine?
The canonical SMILES for 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine is CCCCc1ccc(-c2ccc(OCCC)cc2F)nc1.
What is the InChIKey of 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine?
The InChIKey is HLZHSZXPAIPONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-5-6-14-7-10-18(20-13-14)16-9-8-15(12-17(16)19)21-11-4-2/h7-10,12-13H,3-6,11H2,1-2H3.
What are the key properties of 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine?
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine has a molecular weight of 287.38 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine is sourced from PubChem (CID 19101231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).