2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid

C14H8Cl2F3NO2 — CID 118819248

IUPAC2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c15-10-3-1-2-9(12(10)16)13-7(5-11(21)22)4-8(6-20-13)14(17,18)19/h1-4,6H,5H2,(H,21,22)
InChIKeyAVYXIXQDHIMGIX-UHFFFAOYSA-N
MW350.12 g/mol
LogP4.70
Rot. Bonds3

About 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118819248) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118819248
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Name2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c15-10-3-1-2-9(12(10)16)13-7(5-11(21)22)4-8(6-20-13)14(17,18)19/h1-4,6H,5H2,(H,21,22)
InChIKeyAVYXIXQDHIMGIX-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

2-(3,4-Dichlorophenyl)isonicotinic acid
CID 23445120
3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]propanoic acid
CID 1476267
[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]acetic acid
CID 53414467
(2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid
CID 42037402
3-Chloro-2-[1-(4-chlorophenyl)-1-methoxycarbonyl-methyl]-5-trifluoromethylpyridine
CID 18327273
3-(p-Chlorophenyl)-3-(2-pyridyl)-propionic acid
CID 20741471
Methyl 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methoxyiminoacetate
CID 54087839
3-Chloro-6-(3-chloro-2-fluoro-benzyl)-isonicotinic acid
CID 58334622
3-Chloro-4-[3-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 59673577
2-Chloro-4-(3-(trifluoromethyl)pyridin-2-yl)benzoic acid
CID 66524308
2-[2-[4-(Trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 68422710
4-[2-Phenyl-5-(trifluoromethyl)pyridin-3-yl]butanoic acid
CID 68842446

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 118819248) is 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)(F)F)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is AVYXIXQDHIMGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c15-10-3-1-2-9(12(10)16)13-7(5-11(21)22)4-8(6-20-13)14(17,18)19/h1-4,6H,5H2,(H,21,22).
What are the key properties of 2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-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-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118819248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).