6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate

C25H16ClFNO3- — CID 91900452

IUPAC6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2F)n1
InChIInChI=1S/C25H17ClFNO3/c26-17-12-13-24(31-15-16-6-1-4-9-21(16)27)20(14-17)18-7-2-3-8-19(18)22-10-5-11-23(28-22)25(29)30/h1-14H,15H2,(H,29,30)/p-1
InChIKeyGGLBMUAYCVYZAA-UHFFFAOYSA-M
MW432.86 g/mol
LogP5.15
Rot. Bonds6

About 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate

6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate (PubChem CID 91900452) has the molecular formula C25H16ClFNO3- and a molecular weight of 432.86 g/mol. Its IUPAC name is 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
PubChem CID91900452
Molecular FormulaC25H16ClFNO3-
Molecular Weight432.86 g/mol
Exact Mass432.08
IUPAC Name6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2F)n1
InChIInChI=1S/C25H17ClFNO3/c26-17-12-13-24(31-15-16-6-1-4-9-21(16)27)20(14-17)18-7-2-3-8-19(18)22-10-5-11-23(28-22)25(29)30/h1-14H,15H2,(H,29,30)/p-1
InChIKeyGGLBMUAYCVYZAA-UHFFFAOYSA-M
XLogP5.15
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.86
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[5-chloro-2-(cyclopenten-1-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 58974040
6-[2-[5-chloro-2-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]phenyl]pyridine-2-carboxylate
CID 58974056
sodium 6-[2-(5-chloro-2-cyclopentyloxyphenyl)phenyl]pyridine-2-carboxylate
CID 23699583
sodium 6-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
CID 23713253
sodium 6-[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-2-carboxylate
CID 59808916
6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21112867
sodium 6-[2-[5-bromo-2-(2,2-dimethylpropoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 23684928
2-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 11977922
ethyl 6-[2-[5-chloro-2-[(E)-2-methylbut-2-enoxy]phenyl]phenyl]pyridine-2-carboxylate
CID 58974058
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
sodium 6-[[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 68838059
6-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 58974055

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The IUPAC name of 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate (CID 91900452) is 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate.
What is the SMILES notation for 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The canonical SMILES for 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate is O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2F)n1.
What is the InChIKey of 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The InChIKey is GGLBMUAYCVYZAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H17ClFNO3/c26-17-12-13-24(31-15-16-6-1-4-9-21(16)27)20(14-17)18-7-2-3-8-19(18)22-10-5-11-23(28-22)25(29)30/h1-14H,15H2,(H,29,30)/p-1.
What are the key properties of 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate has a molecular weight of 432.86 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 91900452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).