5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid

C24H18ClF2NO3 — CID 10310352

IUPAC5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3F)CCC2)c1
InChIInChI=1S/C24H18ClF2NO3/c25-17-5-7-23(31-13-14-4-6-18(26)10-22(14)27)21(9-17)20-3-1-2-19(20)15-8-16(24(29)30)12-28-11-15/h4-12H,1-3,13H2,(H,29,30)
InChIKeyCJILYAYLBCNBNP-UHFFFAOYSA-N
MW441.86 g/mol
LogP6.39
Rot. Bonds6

About 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid

5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid (PubChem CID 10310352) has the molecular formula C24H18ClF2NO3 and a molecular weight of 441.86 g/mol. Its IUPAC name is 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
PubChem CID10310352
Molecular FormulaC24H18ClF2NO3
Molecular Weight441.86 g/mol
Exact Mass441.09
IUPAC Name5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3F)CCC2)c1
InChIInChI=1S/C24H18ClF2NO3/c25-17-5-7-23(31-13-14-4-6-18(26)10-22(14)27)21(9-17)20-3-1-2-19(20)15-8-16(24(29)30)12-28-11-15/h4-12H,1-3,13H2,(H,29,30)
InChIKeyCJILYAYLBCNBNP-UHFFFAOYSA-N
XLogP6.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.86
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
CID 10217107
ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate
CID 58887622
methyl 3-amino-5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]benzoate
CID 91332984
sodium;3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoic acid;hydride
CID 173123588
3-acetamido-5-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid
CID 21112841
sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate
CID 68941197
6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21112867
5-[2-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
CID 10288835
5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
CID 11488228
[1-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methyl]-3,4-dihydro-2H-1,7-naphthyridin-5-yl] hydrogen carbonate
CID 129068913
3-[2-[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]phenyl]benzoic acid
CID 10025908
5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-fluorobenzoic acid
CID 21112963

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid (CID 10310352) is 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3F)CCC2)c1.
What is the InChIKey of 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid?
The InChIKey is CJILYAYLBCNBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2NO3/c25-17-5-7-23(31-13-14-4-6-18(26)10-22(14)27)21(9-17)20-3-1-2-19(20)15-8-16(24(29)30)12-28-11-15/h4-12H,1-3,13H2,(H,29,30).
What are the key properties of 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid?
5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid has a molecular weight of 441.86 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 10310352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).