6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C9H4ClF3N2O2 — CID 84742776

IUPAC6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)n2cc(Cl)ccc12
InChIInChI=1S/C9H4ClF3N2O2/c10-4-1-2-5-6(7(16)17)14-8(9(11,12)13)15(5)3-4/h1-3H,(H,16,17)
InChIKeyFZUIOZLVZFKBTK-UHFFFAOYSA-N
MW264.59 g/mol
LogP2.70
Rot. Bonds1

About 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84742776) has the molecular formula C9H4ClF3N2O2 and a molecular weight of 264.59 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84742776
Molecular FormulaC9H4ClF3N2O2
Molecular Weight264.59 g/mol
Exact Mass263.99
IUPAC Name6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)n2cc(Cl)ccc12
InChIInChI=1S/C9H4ClF3N2O2/c10-4-1-2-5-6(7(16)17)14-8(9(11,12)13)15(5)3-4/h1-3H,(H,16,17)
InChIKeyFZUIOZLVZFKBTK-UHFFFAOYSA-N
XLogP2.70
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2360195
6-Chloroimidazo(1,2-a)pyridine-2-carboxylic acid
CID 2757614
Methyl imidazo[1,5-a]pyridine-1-carboxylate
CID 57245894
2-(Trifluoromethyl)imidazo(1,2-a)pyridine-3-carboxylic acid
CID 342316
3-Cyclopropylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752039
6-Chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 6483864
3-(Methylsulfanyl)imidazo(1,5-a)pyridine-1-carboxylic acid
CID 11837347
8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 3928817
6,8-Dichloroimidazo(1,2-a)pyridine-2-carboxylic acid
CID 4683562
Imidazo[1,5-a]pyridine-1-carboxylic acid
CID 15169597
3-(Trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 17766438
Imidazo(1,2-a)pyridine-5-carboxylic acid
CID 18983819

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 84742776) is 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(C(F)(F)F)n2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FZUIOZLVZFKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O2/c10-4-1-2-5-6(7(16)17)14-8(9(11,12)13)15(5)3-4/h1-3H,(H,16,17).
What are the key properties of 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 264.59 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84742776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).