2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid

C10H10F3NO2 — CID 115008846

IUPAC2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccncc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-9(2,8(15)16)6-3-4-14-5-7(6)10(11,12)13/h3-5H,1-2H3,(H,15,16)
InChIKeyTWKSJQQSGUSZCP-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid

2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid (PubChem CID 115008846) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
PubChem CID115008846
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccncc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-9(2,8(15)16)6-3-4-14-5-7(6)10(11,12)13/h3-5H,1-2H3,(H,15,16)
InChIKeyTWKSJQQSGUSZCP-UHFFFAOYSA-N
XLogP2.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid
CID 115008844
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid
CID 115008847
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
3,3-difluoro-3-[4-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738026
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
3-(trifluoromethyl)pyridine-4-carboxylate
CID 26986367
3-hydroxy-3-[4-(trifluoromethyl)-3-pyridinyl]butanal
CID 102707382
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid?
The IUPAC name of 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid (CID 115008846) is 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid is CC(C)(C(=O)O)c1ccncc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid?
The InChIKey is TWKSJQQSGUSZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-9(2,8(15)16)6-3-4-14-5-7(6)10(11,12)13/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid?
2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid has a molecular weight of 233.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid is sourced from PubChem (CID 115008846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).