2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol

C21H21F2NO2 — CID 18381119

IUPAC2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol
SMILESCCCCCCOc1ccc(-c2ccc3c(O)c(F)c(F)cc3c2)cn1
InChIInChI=1S/C21H21F2NO2/c1-2-3-4-5-10-26-19-9-7-15(13-24-19)14-6-8-17-16(11-14)12-18(22)20(23)21(17)25/h6-9,11-13,25H,2-5,10H2,1H3
InChIKeyAWXWPDCLQQRGIF-UHFFFAOYSA-N
MW357.40 g/mol
LogP5.84
Rot. Bonds7

About 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol

2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol (PubChem CID 18381119) has the molecular formula C21H21F2NO2 and a molecular weight of 357.40 g/mol. Its IUPAC name is 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol.

Molecular Properties

Compound Name2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol
PubChem CID18381119
Molecular FormulaC21H21F2NO2
Molecular Weight357.40 g/mol
Exact Mass357.15
IUPAC Name2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol
SMILESCCCCCCOc1ccc(-c2ccc3c(O)c(F)c(F)cc3c2)cn1
InChIInChI=1S/C21H21F2NO2/c1-2-3-4-5-10-26-19-9-7-15(13-24-19)14-6-8-17-16(11-14)12-18(22)20(23)21(17)25/h6-9,11-13,25H,2-5,10H2,1H3
InChIKeyAWXWPDCLQQRGIF-UHFFFAOYSA-N
XLogP5.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.40
LogP ≤ 55.84
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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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol?
The IUPAC name of 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol (CID 18381119) is 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol.
What is the SMILES notation for 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol?
The canonical SMILES for 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol is CCCCCCOc1ccc(-c2ccc3c(O)c(F)c(F)cc3c2)cn1.
What is the InChIKey of 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol?
The InChIKey is AWXWPDCLQQRGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO2/c1-2-3-4-5-10-26-19-9-7-15(13-24-19)14-6-8-17-16(11-14)12-18(22)20(23)21(17)25/h6-9,11-13,25H,2-5,10H2,1H3.
What are the key properties of 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol?
2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol has a molecular weight of 357.40 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol is sourced from PubChem (CID 18381119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).