methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate

C11H8F3N3O3 — CID 82356853

IUPACmethyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1nc2ccc(C(F)(F)F)cn2c1N=O
InChIInChI=1S/C11H8F3N3O3/c1-20-9(18)4-7-10(16-19)17-5-6(11(12,13)14)2-3-8(17)15-7/h2-3,5H,4H2,1H3
InChIKeyUBVJUOAHJKJHJS-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.47
Rot. Bonds3

About methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate

methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 82356853) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID82356853
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Namemethyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1nc2ccc(C(F)(F)F)cn2c1N=O
InChIInChI=1S/C11H8F3N3O3/c1-20-9(18)4-7-10(16-19)17-5-6(11(12,13)14)2-3-8(17)15-7/h2-3,5H,4H2,1H3
InChIKeyUBVJUOAHJKJHJS-UHFFFAOYSA-N
XLogP2.47
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
2-(4-fluorophenyl)-3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 95967166
2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 170659360
methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate
CID 142259735
methyl 3-[2-hydroxy-4-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3-(4-methoxyphenyl)propanoate
CID 135636591
methyl 2-[5-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 148550493
methyl 2-[2-ethynyl-5-(trifluoromethyl)phenyl]acetate
CID 86712711
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063206
[2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060770
methyl 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoate
CID 55026654
methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097688
methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097693

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate (CID 82356853) is methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate is COC(=O)Cc1nc2ccc(C(F)(F)F)cn2c1N=O.
What is the InChIKey of methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is UBVJUOAHJKJHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c1-20-9(18)4-7-10(16-19)17-5-6(11(12,13)14)2-3-8(17)15-7/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate?
methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 287.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 82356853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).