2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

C14H8Cl2F3NO2 — CID 134623609

IUPAC2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Cl)cnc(-c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c15-10-6-20-13(12(16)9(10)5-11(21)22)7-2-1-3-8(4-7)14(17,18)19/h1-4,6H,5H2,(H,21,22)
InChIKeyQRDCQMVNUKOPQI-UHFFFAOYSA-N
MW350.12 g/mol
LogP4.70
Rot. Bonds3

About 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (PubChem CID 134623609) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
PubChem CID134623609
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Name2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Cl)cnc(-c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c15-10-6-20-13(12(16)9(10)5-11(21)22)7-2-1-3-8(4-7)14(17,18)19/h1-4,6H,5H2,(H,21,22)
InChIKeyQRDCQMVNUKOPQI-UHFFFAOYSA-N
XLogP4.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134623607
2-[3,5-dichloro-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623598
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118819248
2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134623593
2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134627169
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 119001070
2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089566
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (CID 134623609) is 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is O=C(O)Cc1c(Cl)cnc(-c2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is QRDCQMVNUKOPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c15-10-6-20-13(12(16)9(10)5-11(21)22)7-2-1-3-8(4-7)14(17,18)19/h1-4,6H,5H2,(H,21,22).
What are the key properties of 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid has a molecular weight of 350.12 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 134623609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).