2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid

C19H13F2NO2 — CID 131869699

IUPAC2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C19H13F2NO2/c20-14-5-1-12(2-6-14)16-9-10-17(22-18(16)11-19(23)24)13-3-7-15(21)8-4-13/h1-10H,11H2,(H,23,24)
InChIKeyXXQNMENJTRQDNB-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.32
Rot. Bonds4

About 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid

2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 131869699) has the molecular formula C19H13F2NO2 and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
PubChem CID131869699
Molecular FormulaC19H13F2NO2
Molecular Weight325.31 g/mol
Exact Mass325.09
IUPAC Name2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C19H13F2NO2/c20-14-5-1-12(2-6-14)16-9-10-17(22-18(16)11-19(23)24)13-3-7-15(21)8-4-13/h1-10H,11H2,(H,23,24)
InChIKeyXXQNMENJTRQDNB-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-[3,6-bis[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623890
2-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785
[6-(4-fluorophenyl)-2-(hydroxymethyl)-3-pyridinyl]methanol
CID 122460974
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856
2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131870429
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
3-fluoro-6-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313905
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 82392813
2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 19800536
2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
CID 133090701
2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090419
2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid
CID 79218581

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid (CID 131869699) is 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1nc(-c2ccc(F)cc2)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is XXQNMENJTRQDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO2/c20-14-5-1-12(2-6-14)16-9-10-17(22-18(16)11-19(23)24)13-3-7-15(21)8-4-13/h1-10H,11H2,(H,23,24).
What are the key properties of 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid?
2-[3,6-bis(4-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-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 131869699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).