methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate

C11H13ClF2N4O2 — CID 178088289

IUPACmethyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(N2CCC(F)(F)CC2)nc1N
InChIInChI=1S/C11H13ClF2N4O2/c1-20-10(19)6-8(15)17-9(7(12)16-6)18-4-2-11(13,14)3-5-18/h2-5H2,1H3,(H2,15,17)
InChIKeyMXOJZRALKNKRLA-UHFFFAOYSA-N
MW306.70 g/mol
LogP1.73
Rot. Bonds2

About methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate

methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 178088289) has the molecular formula C11H13ClF2N4O2 and a molecular weight of 306.70 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID178088289
Molecular FormulaC11H13ClF2N4O2
Molecular Weight306.70 g/mol
Exact Mass306.07
IUPAC Namemethyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(N2CCC(F)(F)CC2)nc1N
InChIInChI=1S/C11H13ClF2N4O2/c1-20-10(19)6-8(15)17-9(7(12)16-6)18-4-2-11(13,14)3-5-18/h2-5H2,1H3,(H2,15,17)
InChIKeyMXOJZRALKNKRLA-UHFFFAOYSA-N
XLogP1.73
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-amino-6-chloro-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 10548162
3-Amino-6-chloro-5-(piperidin-4-ylamino)-pyrazine-2-carboxylic acid methyl ester
CID 10636910
Methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride
CID 90674683
ME 3-Amino-6-CL-5-(4-(2-ethoxy-2-oxoethyl)-1-piperazinyl)-2-pyrazinecarboxylate
CID 45054371
Methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate
CID 14042147
Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester
CID 3014007
methyl 3-amino-6-chloro-5-[(3S)-3-ethyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrazine-2-carboxylate
CID 58854519
3-Amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443497
Methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate
CID 148550292
Methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
CID 156565972
Methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate
CID 166484907
Methyl 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylate
CID 2781563

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate (CID 178088289) is methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(N2CCC(F)(F)CC2)nc1N.
What is the InChIKey of methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is MXOJZRALKNKRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N4O2/c1-20-10(19)6-8(15)17-9(7(12)16-6)18-4-2-11(13,14)3-5-18/h2-5H2,1H3,(H2,15,17).
What are the key properties of methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 306.70 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 178088289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).