[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate

C11H11F3N2O3S — CID 23247006

IUPAC[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate
SMILESCc1ccn2c(COS(C)(=O)=O)c(C(F)(F)F)nc2c1
InChIInChI=1S/C11H11F3N2O3S/c1-7-3-4-16-8(6-19-20(2,17)18)10(11(12,13)14)15-9(16)5-7/h3-5H,6H2,1-2H3
InChIKeySPVUXAUZSGGMBD-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.14
Rot. Bonds3

About [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate

[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate (PubChem CID 23247006) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate
PubChem CID23247006
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate
SMILESCc1ccn2c(COS(C)(=O)=O)c(C(F)(F)F)nc2c1
InChIInChI=1S/C11H11F3N2O3S/c1-7-3-4-16-8(6-19-20(2,17)18)10(11(12,13)14)15-9(16)5-7/h3-5H,6H2,1-2H3
InChIKeySPVUXAUZSGGMBD-UHFFFAOYSA-N
XLogP2.14
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405083
(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82029708
1-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine
CID 39146035
(E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one
CID 59176932
2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine
CID 10543240
3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 141394707
2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine
CID 176738940
2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 39127674
2,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274552
4,8-dimethylpyrido[1,2-a]pyrimidin-2-one
CID 599966
1-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 84670710
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 112770860

Frequently Asked Questions

What is the IUPAC name of [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate?
The IUPAC name of [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate (CID 23247006) is [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate.
What is the SMILES notation for [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate?
The canonical SMILES for [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate is Cc1ccn2c(COS(C)(=O)=O)c(C(F)(F)F)nc2c1.
What is the InChIKey of [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate?
The InChIKey is SPVUXAUZSGGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c1-7-3-4-16-8(6-19-20(2,17)18)10(11(12,13)14)15-9(16)5-7/h3-5H,6H2,1-2H3.
What are the key properties of [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate?
[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate has a molecular weight of 308.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate is sourced from PubChem (CID 23247006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).