1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol

C11H17FN2O2 — CID 11287621

IUPAC1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1ncc(OC)nc1F
InChIInChI=1S/C11H17FN2O2/c1-3-4-5-6-8(15)10-11(12)14-9(16-2)7-13-10/h7-8,15H,3-6H2,1-2H3
InChIKeyXWCNLDXOMSFBJY-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.24
Rot. Bonds6

About 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol

1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol (PubChem CID 11287621) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol
PubChem CID11287621
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1ncc(OC)nc1F
InChIInChI=1S/C11H17FN2O2/c1-3-4-5-6-8(15)10-11(12)14-9(16-2)7-13-10/h7-8,15H,3-6H2,1-2H3
InChIKeyXWCNLDXOMSFBJY-UHFFFAOYSA-N
XLogP2.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
1-(3-Fluoro-5-methoxy-pyrazin-2-yl)-ethanol
CID 11378762
1-Pyrazin-2-ylhexan-1-ol
CID 15880595
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 104368760
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 104515084
4,4,4-Trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol
CID 104515198
5,5,5-Trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol
CID 105120629
(4,4-Difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 105123424
1-(5-Chloro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11276621
1-(3-Chloro-5-methoxypyrazin-2-yl)hexan-1-ol
CID 11390906
3-(6-Methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol
CID 14553050

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol?
The IUPAC name of 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol (CID 11287621) is 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol.
What is the SMILES notation for 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol?
The canonical SMILES for 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol is CCCCCC(O)c1ncc(OC)nc1F.
What is the InChIKey of 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol?
The InChIKey is XWCNLDXOMSFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-3-4-5-6-8(15)10-11(12)14-9(16-2)7-13-10/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol?
1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol has a molecular weight of 228.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxypyrazin-2-yl)hexan-1-ol is sourced from PubChem (CID 11287621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).