(4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone

C25H17F2NO4 — CID 137300715

IUPAC(4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone
SMILESCc1cc(-c2nc(C(=O)c3ccc(F)c(O)c3)ccc2-c2cccc(O)c2F)ccc1O
InChIInChI=1S/C25H17F2NO4/c1-13-11-14(6-10-20(13)29)24-17(16-3-2-4-21(30)23(16)27)7-9-19(28-24)25(32)15-5-8-18(26)22(31)12-15/h2-12,29-31H,1H3
InChIKeyBYXSGVKUSGYPHV-UHFFFAOYSA-N
MW433.41 g/mol
LogP5.35
Rot. Bonds4

About (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone

(4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone (PubChem CID 137300715) has the molecular formula C25H17F2NO4 and a molecular weight of 433.41 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone
PubChem CID137300715
Molecular FormulaC25H17F2NO4
Molecular Weight433.41 g/mol
Exact Mass433.11
IUPAC Name(4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone
SMILESCc1cc(-c2nc(C(=O)c3ccc(F)c(O)c3)ccc2-c2cccc(O)c2F)ccc1O
InChIInChI=1S/C25H17F2NO4/c1-13-11-14(6-10-20(13)29)24-17(16-3-2-4-21(30)23(16)27)7-9-19(28-24)25(32)15-5-8-18(26)22(31)12-15/h2-12,29-31H,1H3
InChIKeyBYXSGVKUSGYPHV-UHFFFAOYSA-N
XLogP5.35
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.41
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone with MolForge

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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
[2,3-Bis(Oxidanyl)phenyl]-[6-(2-Fluoranyl-3-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 135567095
[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
1-[2-(3-Fluoro-4-hydroxy-phenyl)-6-hydroxy-quinolin-4-yl]-ethanone
CID 135499787
[5-(4-Hydroxy-3-methylphenyl)-2-pyridinyl]-(3-hydroxyphenyl)methanone
CID 56969902
(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

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone (CID 137300715) is (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone is Cc1cc(-c2nc(C(=O)c3ccc(F)c(O)c3)ccc2-c2cccc(O)c2F)ccc1O.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone?
The InChIKey is BYXSGVKUSGYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2NO4/c1-13-11-14(6-10-20(13)29)24-17(16-3-2-4-21(30)23(16)27)7-9-19(28-24)25(32)15-5-8-18(26)22(31)12-15/h2-12,29-31H,1H3.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone?
(4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone has a molecular weight of 433.41 g/mol, XLogP of 5.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-[5-(2-fluoro-3-hydroxyphenyl)-6-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 137300715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).