4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine

C27H40FNO — CID 19807948

IUPAC4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine
SMILESCCCCCCCCCCOc1ccccc1-c1ccncc1CCC(F)C(C)C
InChIInChI=1S/C27H40FNO/c1-4-5-6-7-8-9-10-13-20-30-27-15-12-11-14-25(27)24-18-19-29-21-23(24)16-17-26(28)22(2)3/h11-12,14-15,18-19,21-22,26H,4-10,13,16-17,20H2,1-3H3
InChIKeyRZFLLSLQTZVJAV-UHFFFAOYSA-N
MW413.62 g/mol
LogP8.19
Rot. Bonds15

About 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine

4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine (PubChem CID 19807948) has the molecular formula C27H40FNO and a molecular weight of 413.62 g/mol. Its IUPAC name is 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine.

Molecular Properties

Compound Name4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine
PubChem CID19807948
Molecular FormulaC27H40FNO
Molecular Weight413.62 g/mol
Exact Mass413.31
IUPAC Name4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine
SMILESCCCCCCCCCCOc1ccccc1-c1ccncc1CCC(F)C(C)C
InChIInChI=1S/C27H40FNO/c1-4-5-6-7-8-9-10-13-20-30-27-15-12-11-14-25(27)24-18-19-29-21-23(24)16-17-26(28)22(2)3/h11-12,14-15,18-19,21-22,26H,4-10,13,16-17,20H2,1-3H3
InChIKeyRZFLLSLQTZVJAV-UHFFFAOYSA-N
XLogP8.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.62
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine
CID 19807967
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859532
3-[1-(4-butylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859522
4-(2-pentoxyphenyl)-3-[1-(4-propylcyclohexyl)ethyl]pyridine
CID 19859911
2-(2-hexoxyphenyl)-5-octylpyrimidine
CID 19840010
2-(3-pentyl-4-pyridinyl)phenol
CID 135745178
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426
2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine
CID 19807867
1-octadecoxy-2-phenylbenzene
CID 70983974
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321

Frequently Asked Questions

What is the IUPAC name of 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine?
The IUPAC name of 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine (CID 19807948) is 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine.
What is the SMILES notation for 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine?
The canonical SMILES for 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine is CCCCCCCCCCOc1ccccc1-c1ccncc1CCC(F)C(C)C.
What is the InChIKey of 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine?
The InChIKey is RZFLLSLQTZVJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40FNO/c1-4-5-6-7-8-9-10-13-20-30-27-15-12-11-14-25(27)24-18-19-29-21-23(24)16-17-26(28)22(2)3/h11-12,14-15,18-19,21-22,26H,4-10,13,16-17,20H2,1-3H3.
What are the key properties of 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine?
4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine has a molecular weight of 413.62 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine is sourced from PubChem (CID 19807948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).