2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid

C21H12F6N4O2 — CID 118094411

IUPAC2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C21H12F6N4O2/c22-20(23,24)12-4-6-13(7-5-12)28-15-10-11(19(32)33)9-14(29-15)17-18(21(25,26)27)30-16-3-1-2-8-31(16)17/h1-10H,(H,28,29)(H,32,33)
InChIKeyKOIBURROZMLYOM-UHFFFAOYSA-N
MW466.34 g/mol
LogP5.88
Rot. Bonds4

About 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid

2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid (PubChem CID 118094411) has the molecular formula C21H12F6N4O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid
PubChem CID118094411
Molecular FormulaC21H12F6N4O2
Molecular Weight466.34 g/mol
Exact Mass466.09
IUPAC Name2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C21H12F6N4O2/c22-20(23,24)12-4-6-13(7-5-12)28-15-10-11(19(32)33)9-14(29-15)17-18(21(25,26)27)30-16-3-1-2-8-31(16)17/h1-10H,(H,28,29)(H,32,33)
InChIKeyKOIBURROZMLYOM-UHFFFAOYSA-N
XLogP5.88
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid (CID 118094411) is 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid is O=C(O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid?
The InChIKey is KOIBURROZMLYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N4O2/c22-20(23,24)12-4-6-13(7-5-12)28-15-10-11(19(32)33)9-14(29-15)17-18(21(25,26)27)30-16-3-1-2-8-31(16)17/h1-10H,(H,28,29)(H,32,33).
What are the key properties of 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid?
2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid has a molecular weight of 466.34 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 118094411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).