3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid

C20H12F2N2O5 — CID 23441720

IUPAC3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid
SMILESCc1c(F)c(Oc2cccc(C#N)c2)nc(Oc2cc(O)cc(C(=O)O)c2)c1F
InChIInChI=1S/C20H12F2N2O5/c1-10-16(21)18(28-14-4-2-3-11(5-14)9-23)24-19(17(10)22)29-15-7-12(20(26)27)6-13(25)8-15/h2-8,25H,1H3,(H,26,27)
InChIKeyYWGJBKRKYULAQS-UHFFFAOYSA-N
MW398.32 g/mol
LogP4.53
Rot. Bonds5

About 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid

3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid (PubChem CID 23441720) has the molecular formula C20H12F2N2O5 and a molecular weight of 398.32 g/mol. Its IUPAC name is 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid
PubChem CID23441720
Molecular FormulaC20H12F2N2O5
Molecular Weight398.32 g/mol
Exact Mass398.07
IUPAC Name3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid
SMILESCc1c(F)c(Oc2cccc(C#N)c2)nc(Oc2cc(O)cc(C(=O)O)c2)c1F
InChIInChI=1S/C20H12F2N2O5/c1-10-16(21)18(28-14-4-2-3-11(5-14)9-23)24-19(17(10)22)29-15-7-12(20(26)27)6-13(25)8-15/h2-8,25H,1H3,(H,26,27)
InChIKeyYWGJBKRKYULAQS-UHFFFAOYSA-N
XLogP4.53
TPSA112.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid with MolForge

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Related Compounds

3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-4-methoxybenzoic acid
CID 23441835
3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy](13C,15N)benzonitrile
CID 10611771
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide
CID 70081497
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide
CID 10993555
3-[[3,5-difluoro-4-methyl-6-(3-nitrophenoxy)-2-pyridinyl]oxy]benzonitrile
CID 11025383
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 56992082
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
3-[(3-cyanophenoxy)methyl]-4-fluorobenzoic acid
CID 107451983
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
3-[(4-cyano-6-methyl-2-pyridinyl)oxy]benzoic acid
CID 114770378
3-(5-cyano-2-methylphenoxy)benzoic acid
CID 107658929
5-[3-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylic acid
CID 67519915

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid?
The IUPAC name of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid (CID 23441720) is 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid.
What is the SMILES notation for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid?
The canonical SMILES for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid is Cc1c(F)c(Oc2cccc(C#N)c2)nc(Oc2cc(O)cc(C(=O)O)c2)c1F.
What is the InChIKey of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid?
The InChIKey is YWGJBKRKYULAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O5/c1-10-16(21)18(28-14-4-2-3-11(5-14)9-23)24-19(17(10)22)29-15-7-12(20(26)27)6-13(25)8-15/h2-8,25H,1H3,(H,26,27).
What are the key properties of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid?
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid has a molecular weight of 398.32 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid is sourced from PubChem (CID 23441720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).