2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C13H13F3N2O2 — CID 82529890

IUPAC2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCCc1nc2cc(C(F)(F)F)ccn2c1C(=O)O
InChIInChI=1S/C13H13F3N2O2/c1-2-3-4-9-11(12(19)20)18-6-5-8(13(14,15)16)7-10(18)17-9/h5-7H,2-4H2,1H3,(H,19,20)
InChIKeySRMRHPAYNBRQPT-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.39
Rot. Bonds4

About 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82529890) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82529890
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCCc1nc2cc(C(F)(F)F)ccn2c1C(=O)O
InChIInChI=1S/C13H13F3N2O2/c1-2-3-4-9-11(12(19)20)18-6-5-8(13(14,15)16)7-10(18)17-9/h5-7H,2-4H2,1H3,(H,19,20)
InChIKeySRMRHPAYNBRQPT-UHFFFAOYSA-N
XLogP3.39
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529869
3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82530096
2-butyl-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 24995622
7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 105488862
7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 71280482
2-butyl-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 69324372
2-ethyl-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83690690
2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466676
2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115036986
2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid
CID 73333008
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 161228612
2-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530159

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 82529890) is 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is CCCCc1nc2cc(C(F)(F)F)ccn2c1C(=O)O.
What is the InChIKey of 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is SRMRHPAYNBRQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-2-3-4-9-11(12(19)20)18-6-5-8(13(14,15)16)7-10(18)17-9/h5-7H,2-4H2,1H3,(H,19,20).
What are the key properties of 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 286.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82529890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).