2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone

C38H25F7N2O6 — CID 162231182

IUPAC2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ncc(F)cc1F.COc1ccccc1C(=O)c1ncc(Oc2ccc(F)cc2F)cc1F.Oc1ccc(F)cc1F
InChIInChI=1S/C19H12F3NO3.C13H9F2NO2.C6H4F2O/c1-25-16-5-3-2-4-13(16)19(24)18-15(22)9-12(10-23-18)26-17-7-6-11(20)8-14(17)21;1-18-11-5-3-2-4-9(11)13(17)12-10(15)6-8(14)7-16-12;7-4-1-2-6(9)5(8)3-4/h2-10H,1H3;2-7H,1H3;1-3,9H
InChIKeyZVLISRRUQLJJHZ-UHFFFAOYSA-N
MW738.61 g/mol
LogP8.80
Rot. Bonds8

About 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone

2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone (PubChem CID 162231182) has the molecular formula C38H25F7N2O6 and a molecular weight of 738.61 g/mol. Its IUPAC name is 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone
PubChem CID162231182
Molecular FormulaC38H25F7N2O6
Molecular Weight738.61 g/mol
Exact Mass738.16
IUPAC Name2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ncc(F)cc1F.COc1ccccc1C(=O)c1ncc(Oc2ccc(F)cc2F)cc1F.Oc1ccc(F)cc1F
InChIInChI=1S/C19H12F3NO3.C13H9F2NO2.C6H4F2O/c1-25-16-5-3-2-4-13(16)19(24)18-15(22)9-12(10-23-18)26-17-7-6-11(20)8-14(17)21;1-18-11-5-3-2-4-9(11)13(17)12-10(15)6-8(14)7-16-12;7-4-1-2-6(9)5(8)3-4/h2-10H,1H3;2-7H,1H3;1-3,9H
InChIKeyZVLISRRUQLJJHZ-UHFFFAOYSA-N
XLogP8.80
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.61
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone
CID 87610110
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
2-fluoro-4-(2-fluorophenoxy)phenol
CID 165357625
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone
CID 155366934
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 163237982

Frequently Asked Questions

What is the IUPAC name of 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone?
The IUPAC name of 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone (CID 162231182) is 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone?
The canonical SMILES for 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1ncc(F)cc1F.COc1ccccc1C(=O)c1ncc(Oc2ccc(F)cc2F)cc1F.Oc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone?
The InChIKey is ZVLISRRUQLJJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO3.C13H9F2NO2.C6H4F2O/c1-25-16-5-3-2-4-13(16)19(24)18-15(22)9-12(10-23-18)26-17-7-6-11(20)8-14(17)21;1-18-11-5-3-2-4-9(11)13(17)12-10(15)6-8(14)7-16-12;7-4-1-2-6(9)5(8)3-4/h2-10H,1H3;2-7H,1H3;1-3,9H.
What are the key properties of 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone?
2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone has a molecular weight of 738.61 g/mol, XLogP of 8.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 162231182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).