[6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone

C18H12FNO4 — CID 135567153

IUPAC[6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H
InChIKeyUSZFAGSFWNNZLX-UHFFFAOYSA-N
MW325.30 g/mol
LogP3.24
Rot. Bonds3

About [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone

[6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone (PubChem CID 135567153) has the molecular formula C18H12FNO4 and a molecular weight of 325.30 g/mol. Its IUPAC name is [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
PubChem CID135567153
Molecular FormulaC18H12FNO4
Molecular Weight325.30 g/mol
Exact Mass325.08
IUPAC Name[6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H
InChIKeyUSZFAGSFWNNZLX-UHFFFAOYSA-N
XLogP3.24
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone (CID 135567153) is [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(O)c(O)c2)n1.
What is the InChIKey of [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The InChIKey is USZFAGSFWNNZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H.
What are the key properties of [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
[6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone has a molecular weight of 325.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 135567153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).