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

C14H9ClF3NO3 — CID 134625724

IUPAC2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccnc(-c2cccc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C14H9ClF3NO3/c15-12-8(7-11(20)21)4-5-19-13(12)9-2-1-3-10(6-9)22-14(16,17)18/h1-6H,7H2,(H,20,21)
InChIKeyCMFBZJBNLTZQIJ-UHFFFAOYSA-N
MW331.68 g/mol
LogP3.93
Rot. Bonds4

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

2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid (PubChem CID 134625724) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
PubChem CID134625724
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccnc(-c2cccc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C14H9ClF3NO3/c15-12-8(7-11(20)21)4-5-19-13(12)9-2-1-3-10(6-9)22-14(16,17)18/h1-6H,7H2,(H,20,21)
InChIKeyCMFBZJBNLTZQIJ-UHFFFAOYSA-N
XLogP3.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118808116
2-[2-chloro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 119017945
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134617500
[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134630815
2-[2-fluoro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 133089276
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091653
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623609
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid (CID 134625724) is 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid is O=C(O)Cc1ccnc(-c2cccc(OC(F)(F)F)c2)c1Cl.
What is the InChIKey of 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is CMFBZJBNLTZQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c15-12-8(7-11(20)21)4-5-19-13(12)9-2-1-3-10(6-9)22-14(16,17)18/h1-6H,7H2,(H,20,21).
What are the key properties of 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid has a molecular weight of 331.68 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 134625724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).