3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid

C9H7ClF3NO2 — CID 1476267

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO2/c10-6-3-5(9(11,12)13)4-14-7(6)1-2-8(15)16/h3-4H,1-2H2,(H,15,16)
InChIKeyFFAQNTURDIPVTO-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.77
Rot. Bonds3

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 1476267) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID1476267
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO2/c10-6-3-5(9(11,12)13)4-14-7(6)1-2-8(15)16/h3-4H,1-2H2,(H,15,16)
InChIKeyFFAQNTURDIPVTO-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid (CID 1476267) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid is O=C(O)CCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is FFAQNTURDIPVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c10-6-3-5(9(11,12)13)4-14-7(6)1-2-8(15)16/h3-4H,1-2H2,(H,15,16).
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid has a molecular weight of 253.61 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 1476267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).