6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid

C25H23F2NO3 — CID 142815869

IUPAC6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(F)cc2F)c(C2CCCC2c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C25H23F2NO3/c1-15-8-11-24(31-14-16-9-10-17(26)13-21(16)27)20(12-15)18-4-2-5-19(18)22-6-3-7-23(28-22)25(29)30/h3,6-13,18-19H,2,4-5,14H2,1H3,(H,29,30)
InChIKeyWYHZEGAGATWABS-UHFFFAOYSA-N
MW423.46 g/mol
LogP6.00
Rot. Bonds6

About 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid

6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid (PubChem CID 142815869) has the molecular formula C25H23F2NO3 and a molecular weight of 423.46 g/mol. Its IUPAC name is 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid
PubChem CID142815869
Molecular FormulaC25H23F2NO3
Molecular Weight423.46 g/mol
Exact Mass423.16
IUPAC Name6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid
SMILESCc1ccc(OCc2ccc(F)cc2F)c(C2CCCC2c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C25H23F2NO3/c1-15-8-11-24(31-14-16-9-10-17(26)13-21(16)27)20(12-15)18-4-2-5-19(18)22-6-3-7-23(28-22)25(29)30/h3,6-13,18-19H,2,4-5,14H2,1H3,(H,29,30)
InChIKeyWYHZEGAGATWABS-UHFFFAOYSA-N
XLogP6.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyrazine-2-carboxylic acid
CID 142815798
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
3-[(2,4-difluorophenyl)methoxy]-4-[(6-methyl-1H-benzimidazol-2-yl)methoxy]benzoic acid
CID 59049847
6-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 55053506
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
1-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]-4-methylpent-4-en-1-one
CID 142835435
1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene
CID 141079392
1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11383800
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
3-[(4-chloro-2-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 114847687
2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopentyl]pyridine-4-carboxylic acid
CID 160734274
2-[[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786241

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid (CID 142815869) is 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid is Cc1ccc(OCc2ccc(F)cc2F)c(C2CCCC2c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid?
The InChIKey is WYHZEGAGATWABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO3/c1-15-8-11-24(31-14-16-9-10-17(26)13-21(16)27)20(12-15)18-4-2-5-19(18)22-6-3-7-23(28-22)25(29)30/h3,6-13,18-19H,2,4-5,14H2,1H3,(H,29,30).
What are the key properties of 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid?
6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid has a molecular weight of 423.46 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 142815869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).