2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid

C34H33F5N2O6S — CID 161344883

IUPAC2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESCC(C)c1ccc(Sc2ccc(F)cc2CC(=O)O)cc1.Cc1cc(C(F)(F)F)cnc1CC(=O)O.Cc1cc(F)cnc1CC(=O)O
InChIInChI=1S/C17H17FO2S.C9H8F3NO2.C8H8FNO2/c1-11(2)12-3-6-15(7-4-12)21-16-8-5-14(18)9-13(16)10-17(19)20;1-5-2-6(9(10,11)12)4-13-7(5)3-8(14)15;1-5-2-6(9)4-10-7(5)3-8(11)12/h3-9,11H,10H2,1-2H3,(H,19,20);2,4H,3H2,1H3,(H,14,15);2,4H,3H2,1H3,(H,11,12)
InChIKeyVNDVGZJHFIKEEZ-UHFFFAOYSA-N
MW692.70 g/mol
LogP7.92
Rot. Bonds9

About 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid

2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 161344883) has the molecular formula C34H33F5N2O6S and a molecular weight of 692.70 g/mol. Its IUPAC name is 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID161344883
Molecular FormulaC34H33F5N2O6S
Molecular Weight692.70 g/mol
Exact Mass692.20
IUPAC Name2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESCC(C)c1ccc(Sc2ccc(F)cc2CC(=O)O)cc1.Cc1cc(C(F)(F)F)cnc1CC(=O)O.Cc1cc(F)cnc1CC(=O)O
InChIInChI=1S/C17H17FO2S.C9H8F3NO2.C8H8FNO2/c1-11(2)12-3-6-15(7-4-12)21-16-8-5-14(18)9-13(16)10-17(19)20;1-5-2-6(9(10,11)12)4-13-7(5)3-8(14)15;1-5-2-6(9)4-10-7(5)3-8(11)12/h3-9,11H,10H2,1-2H3,(H,19,20);2,4H,3H2,1H3,(H,14,15);2,4H,3H2,1H3,(H,11,12)
InChIKeyVNDVGZJHFIKEEZ-UHFFFAOYSA-N
XLogP7.92
TPSA137.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.70
LogP ≤ 57.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314279
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
2-[5-nitro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid
CID 826760
2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118704084
6-methyl-4-(4-propan-2-ylphenyl)sulfanylpyridine-3-carboxylic acid
CID 81238328
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
CID 3848305
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314277
2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
CID 12957639
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 63673671
2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
CID 12539105

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 161344883) is 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid is CC(C)c1ccc(Sc2ccc(F)cc2CC(=O)O)cc1.Cc1cc(C(F)(F)F)cnc1CC(=O)O.Cc1cc(F)cnc1CC(=O)O.
What is the InChIKey of 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is VNDVGZJHFIKEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S.C9H8F3NO2.C8H8FNO2/c1-11(2)12-3-6-15(7-4-12)21-16-8-5-14(18)9-13(16)10-17(19)20;1-5-2-6(9(10,11)12)4-13-7(5)3-8(14)15;1-5-2-6(9)4-10-7(5)3-8(11)12/h3-9,11H,10H2,1-2H3,(H,19,20);2,4H,3H2,1H3,(H,14,15);2,4H,3H2,1H3,(H,11,12).
What are the key properties of 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 692.70 g/mol, XLogP of 7.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-methyl-2-pyridinyl)acetic acid;2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid;2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 161344883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).