2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid

C8H5ClF3NO2 — CID 131611741

IUPAC2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H5ClF3NO2/c9-7-4(8(10,11)12)1-2-13-5(7)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyXDBGEBLCQKAJTM-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.38
Rot. Bonds2

About 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid

2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 131611741) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID131611741
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H5ClF3NO2/c9-7-4(8(10,11)12)1-2-13-5(7)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyXDBGEBLCQKAJTM-UHFFFAOYSA-N
XLogP2.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-4-(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-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131498013
2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118823447
2-[4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118816812
2,3-dichloro-4-(trifluoromethyl)pyridine
CID 15132714
2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
CID 119006326
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
2-[3,5-dichloro-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623598
2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134630938
3-[2-chloro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 70922527

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 131611741) is 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1nccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is XDBGEBLCQKAJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c9-7-4(8(10,11)12)1-2-13-5(7)3-6(14)15/h1-2H,3H2,(H,14,15).
What are the key properties of 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 239.58 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 131611741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).