4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid

C19H12F3NO2 — CID 11739400

IUPAC4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H12F3NO2/c20-19(21,22)16-7-2-1-6-15(16)14-5-3-4-12(10-14)13-8-9-23-17(11-13)18(24)25/h1-11H,(H,24,25)
InChIKeyDACDDHHVKPLUGP-UHFFFAOYSA-N
MW343.30 g/mol
LogP5.13
Rot. Bonds3

About 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid

4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 11739400) has the molecular formula C19H12F3NO2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID11739400
Molecular FormulaC19H12F3NO2
Molecular Weight343.30 g/mol
Exact Mass343.08
IUPAC Name4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H12F3NO2/c20-19(21,22)16-7-2-1-6-15(16)14-5-3-4-12(10-14)13-8-9-23-17(11-13)18(24)25/h1-11H,(H,24,25)
InChIKeyDACDDHHVKPLUGP-UHFFFAOYSA-N
XLogP5.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.30
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3442
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CID 124656
Phenopicolinic acid
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CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
4-Pyridin-3-yl-benzoic acid
CID 1515244
Isoquinoline-1-carboxylic acid
CID 68092
4-(2-Pyridyl)Benzoic Acid
CID 821692
3-(Pyridin-4-yl)benzoic acid
CID 2795562
3-(Pyridin-2-yl)benzoic acid
CID 5152592
Isoquinoline-6-carboxylic acid
CID 22128831
3-Benzoylpyridine-2-carboxylic acid
CID 726941

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid (CID 11739400) is 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2cccc(-c3ccccc3C(F)(F)F)c2)ccn1.
What is the InChIKey of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is DACDDHHVKPLUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO2/c20-19(21,22)16-7-2-1-6-15(16)14-5-3-4-12(10-14)13-8-9-23-17(11-13)18(24)25/h1-11H,(H,24,25).
What are the key properties of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid?
4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 343.30 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 11739400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).