2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid

C14H9ClF3NO2 — CID 134630938

IUPAC2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(Cl)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9ClF3NO2/c15-12-6-5-9(11(19-12)7-13(20)21)8-3-1-2-4-10(8)14(16,17)18/h1-6H,7H2,(H,20,21)
InChIKeyUGQKKVIOELHMLY-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.05
Rot. Bonds3

About 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid

2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid (PubChem CID 134630938) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
PubChem CID134630938
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(Cl)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9ClF3NO2/c15-12-6-5-9(11(19-12)7-13(20)21)8-3-1-2-4-10(8)14(16,17)18/h1-6H,7H2,(H,20,21)
InChIKeyUGQKKVIOELHMLY-UHFFFAOYSA-N
XLogP4.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785
2-[6-chloro-5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 119022927
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-[6-oxo-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
CID 133091997
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081827
2-[6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]acetic acid
CID 133091981
2-[3,5-dichloro-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623598
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134630807
2-[4-(bromomethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 174684622
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid (CID 134630938) is 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid is O=C(O)Cc1nc(Cl)ccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The InChIKey is UGQKKVIOELHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-12-6-5-9(11(19-12)7-13(20)21)8-3-1-2-4-10(8)14(16,17)18/h1-6H,7H2,(H,20,21).
What are the key properties of 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid has a molecular weight of 315.68 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid is sourced from PubChem (CID 134630938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).