2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid

C19H13F2NO2 — CID 46314319

IUPAC2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccccc2F)cc1-c1ccccc1F
InChIInChI=1S/C19H13F2NO2/c20-16-7-3-1-5-13(16)12-9-15(14-6-2-4-8-17(14)21)18(22-11-12)10-19(23)24/h1-9,11H,10H2,(H,23,24)
InChIKeyIBCUAIVDABBOCD-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.32
Rot. Bonds4

About 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid

2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 46314319) has the molecular formula C19H13F2NO2 and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid
PubChem CID46314319
Molecular FormulaC19H13F2NO2
Molecular Weight325.31 g/mol
Exact Mass325.09
IUPAC Name2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccccc2F)cc1-c1ccccc1F
InChIInChI=1S/C19H13F2NO2/c20-16-7-3-1-5-13(16)12-9-15(14-6-2-4-8-17(14)21)18(22-11-12)10-19(23)24/h1-9,11H,10H2,(H,23,24)
InChIKeyIBCUAIVDABBOCD-UHFFFAOYSA-N
XLogP4.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314277
2-[5-(2,3-difluorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133088999
2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870438
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
[2-chloro-5-(2-fluorophenyl)-3-pyridinyl]methanol
CID 119021722
2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid
CID 131870062
2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 174610551
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-(4-fluoro-5-phenyl-2-pyridinyl)acetic acid
CID 133095784
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231
5-(2-fluorophenyl)pyrimidine-2-carbonitrile
CID 126755857
[3-(2-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870563

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid (CID 46314319) is 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(-c2ccccc2F)cc1-c1ccccc1F.
What is the InChIKey of 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is IBCUAIVDABBOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO2/c20-16-7-3-1-5-13(16)12-9-15(14-6-2-4-8-17(14)21)18(22-11-12)10-19(23)24/h1-9,11H,10H2,(H,23,24).
What are the key properties of 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid?
2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 325.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 46314319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).