3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C12H5ClF3N3O3 — CID 68745272

IUPAC3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3cnoc3)cn2c1Cl
InChIInChI=1S/C12H5ClF3N3O3/c13-9-8(11(20)21)18-10-7(12(14,15)16)1-5(3-19(9)10)6-2-17-22-4-6/h1-4H,(H,20,21)
InChIKeyMKCZCSFORQICRP-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.36
Rot. Bonds2

About 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68745272) has the molecular formula C12H5ClF3N3O3 and a molecular weight of 331.64 g/mol. Its IUPAC name is 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68745272
Molecular FormulaC12H5ClF3N3O3
Molecular Weight331.64 g/mol
Exact Mass331.00
IUPAC Name3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3cnoc3)cn2c1Cl
InChIInChI=1S/C12H5ClF3N3O3/c13-9-8(11(20)21)18-10-7(12(14,15)16)1-5(3-19(9)10)6-2-17-22-4-6/h1-4H,(H,20,21)
InChIKeyMKCZCSFORQICRP-UHFFFAOYSA-N
XLogP3.36
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59443815
CID 59443815
CID 67085153
CID 67085153
CID 68746820
CID 68746820
CID 68748216
CID 68748216
CID 173045154
CID 173045154
CID 159095940
CID 159095940
CID 138663414
CID 138663414
CID 172391398
CID 172391398

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68745272) is 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(C(F)(F)F)cc(-c3cnoc3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is MKCZCSFORQICRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF3N3O3/c13-9-8(11(20)21)18-10-7(12(14,15)16)1-5(3-19(9)10)6-2-17-22-4-6/h1-4H,(H,20,21).
What are the key properties of 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 331.64 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68745272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).