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

C14H8Cl2F3NO3 — CID 134623593

IUPAC2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Cl)cnc(-c2ccccc2OC(F)(F)F)c1Cl
InChIInChI=1S/C14H8Cl2F3NO3/c15-9-6-20-13(12(16)8(9)5-11(21)22)7-3-1-2-4-10(7)23-14(17,18)19/h1-4,6H,5H2,(H,21,22)
InChIKeyQNZBETYTNDNGBY-UHFFFAOYSA-N
MW366.12 g/mol
LogP4.58
Rot. Bonds4

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

2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid (PubChem CID 134623593) has the molecular formula C14H8Cl2F3NO3 and a molecular weight of 366.12 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
PubChem CID134623593
Molecular FormulaC14H8Cl2F3NO3
Molecular Weight366.12 g/mol
Exact Mass364.98
IUPAC Name2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Cl)cnc(-c2ccccc2OC(F)(F)F)c1Cl
InChIInChI=1S/C14H8Cl2F3NO3/c15-9-6-20-13(12(16)8(9)5-11(21)22)7-3-1-2-4-10(7)23-14(17,18)19/h1-4,6H,5H2,(H,21,22)
InChIKeyQNZBETYTNDNGBY-UHFFFAOYSA-N
XLogP4.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dichloro-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623598
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623609
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 133089281
2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134620790
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134629833

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid (CID 134623593) is 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid is O=C(O)Cc1c(Cl)cnc(-c2ccccc2OC(F)(F)F)c1Cl.
What is the InChIKey of 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is QNZBETYTNDNGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO3/c15-9-6-20-13(12(16)8(9)5-11(21)22)7-3-1-2-4-10(7)23-14(17,18)19/h1-4,6H,5H2,(H,21,22).
What are the key properties of 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid has a molecular weight of 366.12 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 134623593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).