5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C18H21F4N3O7 — CID 177015176

IUPAC5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OCCC(O)C1O.COc1cnc(C(=O)O)cn1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H6N2O3.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-11-5-3-7-4(2-8-5)6(9)10;1-4-6(8)5(7)2-3-9-4/h1-3H;2-3H,1H3,(H,9,10);4-8H,2-3H2,1H3
InChIKeyVKWYILCTGFSXAO-UHFFFAOYSA-N
MW467.37 g/mol
LogP2.06
Rot. Bonds3

About 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 177015176) has the molecular formula C18H21F4N3O7 and a molecular weight of 467.37 g/mol. Its IUPAC name is 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID177015176
Molecular FormulaC18H21F4N3O7
Molecular Weight467.37 g/mol
Exact Mass467.13
IUPAC Name5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OCCC(O)C1O.COc1cnc(C(=O)O)cn1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H6N2O3.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-11-5-3-7-4(2-8-5)6(9)10;1-4-6(8)5(7)2-3-9-4/h1-3H;2-3H,1H3,(H,9,10);4-8H,2-3H2,1H3
InChIKeyVKWYILCTGFSXAO-UHFFFAOYSA-N
XLogP2.06
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 5-[[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy]pyrazine-2-carboxylate
CID 171557239
5-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
CID 171557998
5-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
CID 171558265
2-(Pyrazin-2-yloxymethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558546
[3-(Difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate
CID 172718265
5-[[3-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
CID 177015390
5-(1,1-Difluoroethyl)-6-pyridin-2-yloxypyrazine-2-carboxylic acid
CID 177934958
N-propyl-5-[[(2R)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxamide
CID 177015174

Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 177015176) is 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC1OCCC(O)C1O.COc1cnc(C(=O)O)cn1.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is VKWYILCTGFSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO.C6H6N2O3.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-11-5-3-7-4(2-8-5)6(9)10;1-4-6(8)5(7)2-3-9-4/h1-3H;2-3H,1H3,(H,9,10);4-8H,2-3H2,1H3.
What are the key properties of 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 467.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrazine-2-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 177015176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).