2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol

C19H24FNO2 — CID 19046961

IUPAC2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol
SMILESCCCCCCCCOc1ccc(-c2ccc(O)c(F)n2)cc1
InChIInChI=1S/C19H24FNO2/c1-2-3-4-5-6-7-14-23-16-10-8-15(9-11-16)17-12-13-18(22)19(20)21-17/h8-13,22H,2-7,14H2,1H3
InChIKeyLMFUITQCLNJJPU-UHFFFAOYSA-N
MW317.40 g/mol
LogP5.33
Rot. Bonds9

About 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol

2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol (PubChem CID 19046961) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol.

Molecular Properties

Compound Name2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol
PubChem CID19046961
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol
SMILESCCCCCCCCOc1ccc(-c2ccc(O)c(F)n2)cc1
InChIInChI=1S/C19H24FNO2/c1-2-3-4-5-6-7-14-23-16-10-8-15(9-11-16)17-12-13-18(22)19(20)21-17/h8-13,22H,2-7,14H2,1H3
InChIKeyLMFUITQCLNJJPU-UHFFFAOYSA-N
XLogP5.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol?
The IUPAC name of 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol (CID 19046961) is 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol.
What is the SMILES notation for 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol?
The canonical SMILES for 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol is CCCCCCCCOc1ccc(-c2ccc(O)c(F)n2)cc1.
What is the InChIKey of 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol?
The InChIKey is LMFUITQCLNJJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-2-3-4-5-6-7-14-23-16-10-8-15(9-11-16)17-12-13-18(22)19(20)21-17/h8-13,22H,2-7,14H2,1H3.
What are the key properties of 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol?
2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol has a molecular weight of 317.40 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-octoxyphenyl)pyridin-3-ol is sourced from PubChem (CID 19046961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).