2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid

C15H13F2NO2 — CID 117048944

IUPAC2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
SMILESCC(Cc1ccncc1)(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-15(14(19)20,9-10-4-6-18-7-5-10)11-2-3-12(16)13(17)8-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyOTAHQFLKNMEEBO-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.94
Rot. Bonds4

About 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid

2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid (PubChem CID 117048944) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
PubChem CID117048944
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
SMILESCC(Cc1ccncc1)(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-15(14(19)20,9-10-4-6-18-7-5-10)11-2-3-12(16)13(17)8-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyOTAHQFLKNMEEBO-UHFFFAOYSA-N
XLogP2.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic 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-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048965
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 117049073
2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
CID 61237250
2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride
CID 117049133
2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049145
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048325
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048319
3-amino-2-[(3,4-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899920
2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid
CID 117048330

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid (CID 117048944) is 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid is CC(Cc1ccncc1)(C(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid?
The InChIKey is OTAHQFLKNMEEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-15(14(19)20,9-10-4-6-18-7-5-10)11-2-3-12(16)13(17)8-11/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid?
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid has a molecular weight of 277.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 117048944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).