2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol

C25H29FN2O — CID 135736656

IUPAC2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol
SMILESCCCCCCCCCc1ccc(-c2cnc(-c3ccc(O)c(F)c3)cn2)cc1
InChIInChI=1S/C25H29FN2O/c1-2-3-4-5-6-7-8-9-19-10-12-20(13-11-19)23-17-28-24(18-27-23)21-14-15-25(29)22(26)16-21/h10-18,29H,2-9H2,1H3
InChIKeyVSIXCIARZZXAFP-UHFFFAOYSA-N
MW392.52 g/mol
LogP6.95
Rot. Bonds10

About 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol

2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol (PubChem CID 135736656) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol
PubChem CID135736656
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol
SMILESCCCCCCCCCc1ccc(-c2cnc(-c3ccc(O)c(F)c3)cn2)cc1
InChIInChI=1S/C25H29FN2O/c1-2-3-4-5-6-7-8-9-19-10-12-20(13-11-19)23-17-28-24(18-27-23)21-14-15-25(29)22(26)16-21/h10-18,29H,2-9H2,1H3
InChIKeyVSIXCIARZZXAFP-UHFFFAOYSA-N
XLogP6.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(5-octylpyrimidin-2-yl)phenol
CID 135689415
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol
CID 54446748
2-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
CID 57061929
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol?
The IUPAC name of 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol (CID 135736656) is 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol?
The canonical SMILES for 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol is CCCCCCCCCc1ccc(-c2cnc(-c3ccc(O)c(F)c3)cn2)cc1.
What is the InChIKey of 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol?
The InChIKey is VSIXCIARZZXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-2-3-4-5-6-7-8-9-19-10-12-20(13-11-19)23-17-28-24(18-27-23)21-14-15-25(29)22(26)16-21/h10-18,29H,2-9H2,1H3.
What are the key properties of 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol?
2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol has a molecular weight of 392.52 g/mol, XLogP of 6.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol is sourced from PubChem (CID 135736656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).