4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid

C19H13F3N2O2 — CID 162669775

IUPAC4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)15-7-5-12(6-8-15)16-9-14(10-24-17(16)23)11-1-3-13(4-2-11)18(25)26/h1-10H,(H2,23,24)(H,25,26)
InChIKeyXFCSIUSQRDAIIU-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.71
Rot. Bonds3

About 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid

4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid (PubChem CID 162669775) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid
PubChem CID162669775
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)15-7-5-12(6-8-15)16-9-14(10-24-17(16)23)11-1-3-13(4-2-11)18(25)26/h1-10H,(H2,23,24)(H,25,26)
InChIKeyXFCSIUSQRDAIIU-UHFFFAOYSA-N
XLogP4.71
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid (CID 162669775) is 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid is Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid?
The InChIKey is XFCSIUSQRDAIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)15-7-5-12(6-8-15)16-9-14(10-24-17(16)23)11-1-3-13(4-2-11)18(25)26/h1-10H,(H2,23,24)(H,25,26).
What are the key properties of 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid?
4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid has a molecular weight of 358.32 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 162669775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).