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

C18H12FNO4 — CID 135567095

IUPAC(2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(-c2cccc(O)c2F)n1)c1cccc(O)c1O
InChIInChI=1S/C18H12FNO4/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20-12)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H
InChIKeyOESDFRIOBRBPRO-UHFFFAOYSA-N
MW325.30 g/mol
LogP3.24
Rot. Bonds3

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

(2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone (PubChem CID 135567095) has the molecular formula C18H12FNO4 and a molecular weight of 325.30 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
PubChem CID135567095
Molecular FormulaC18H12FNO4
Molecular Weight325.30 g/mol
Exact Mass325.08
IUPAC Name(2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(-c2cccc(O)c2F)n1)c1cccc(O)c1O
InChIInChI=1S/C18H12FNO4/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20-12)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H
InChIKeyOESDFRIOBRBPRO-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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Related Compounds

(4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(2-Fluoranyl-3-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 122707109
(4-Fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone
CID 134158357
(4-Fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
CID 134158358
[6-(3,4-Dihydroxyphenyl)pyridin-2-Yl](4-Fluoro-3-Hydroxyphenyl)methanone
CID 135567153
(4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(3-Methyl-4-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 135567209
[4-Fluoranyl-2,3-Bis(Oxidanyl)phenyl]-[6-(2-Fluoranyl-3-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 135567210
Nbi-31772
CID 135543997
(4-Fluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone
CID 56969903
[6-[3-(Dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
CID 132991415
(4-Fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone
CID 132991416
(4-Fluoro-3-hydroxyphenyl)-[5-(3-fluoro-4-hydroxyphenyl)-2-pyridinyl]methanone
CID 134132086
(4-Fluoro-3-hydroxyphenyl)-(6-phenoxy-2-pyridinyl)methanone
CID 134136680

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The IUPAC name of (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone (CID 135567095) is (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The canonical SMILES for (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone is O=C(c1cccc(-c2cccc(O)c2F)n1)c1cccc(O)c1O.
What is the InChIKey of (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The InChIKey is OESDFRIOBRBPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO4/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20-12)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H.
What are the key properties of (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
(2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]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 (2,3-dihydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 135567095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).