5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid

C19H12ClF3N2O2 — CID 57479007

IUPAC5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C19H12ClF3N2O2/c20-11-5-7-17(14(9-11)18(26)27)25-12-6-8-16(24-10-12)13-3-1-2-4-15(13)19(21,22)23/h1-10,25H,(H,26,27)
InChIKeyYIFOHQWDGYYWFA-UHFFFAOYSA-N
MW392.76 g/mol
LogP5.86
Rot. Bonds4

About 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid

5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid (PubChem CID 57479007) has the molecular formula C19H12ClF3N2O2 and a molecular weight of 392.76 g/mol. Its IUPAC name is 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid
PubChem CID57479007
Molecular FormulaC19H12ClF3N2O2
Molecular Weight392.76 g/mol
Exact Mass392.05
IUPAC Name5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C19H12ClF3N2O2/c20-11-5-7-17(14(9-11)18(26)27)25-12-6-8-16(24-10-12)13-3-1-2-4-15(13)19(21,22)23/h1-10,25H,(H,26,27)
InChIKeyYIFOHQWDGYYWFA-UHFFFAOYSA-N
XLogP5.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid (CID 57479007) is 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid is O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid?
The InChIKey is YIFOHQWDGYYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O2/c20-11-5-7-17(14(9-11)18(26)27)25-12-6-8-16(24-10-12)13-3-1-2-4-15(13)19(21,22)23/h1-10,25H,(H,26,27).
What are the key properties of 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid?
5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid has a molecular weight of 392.76 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 57479007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).