methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate

C9H12ClN3O4 — CID 15914244

IUPACmethyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cnc1NCC(O)CO
InChIInChI=1S/C9H12ClN3O4/c1-17-9(16)7-8(11-2-5(15)4-14)12-3-6(10)13-7/h3,5,14-15H,2,4H2,1H3,(H,11,12)
InChIKeyIZOUGZJZASTBBA-UHFFFAOYSA-N
MW261.66 g/mol
LogP-0.32
Rot. Bonds5

About methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate

methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate (PubChem CID 15914244) has the molecular formula C9H12ClN3O4 and a molecular weight of 261.66 g/mol. Its IUPAC name is methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate
PubChem CID15914244
Molecular FormulaC9H12ClN3O4
Molecular Weight261.66 g/mol
Exact Mass261.05
IUPAC Namemethyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cnc1NCC(O)CO
InChIInChI=1S/C9H12ClN3O4/c1-17-9(16)7-8(11-2-5(15)4-14)12-3-6(10)13-7/h3,5,14-15H,2,4H2,1H3,(H,11,12)
InChIKeyIZOUGZJZASTBBA-UHFFFAOYSA-N
XLogP-0.32
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 3-amino-6-chloropyrazine-2-carboxylate
CID 824637
Methyl 6-[(2,3-dihydroxypropyl)amino]-3-nitropyrazine-2-carboxylate
CID 15914243
Ethyl 3-amino-5-chloropyrazine-2-carboxylate
CID 71627063
3,3,3-Trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid
CID 79798284
Methyl 6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazine-2-carboxylate
CID 104097015
Methyl 6-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carboxylate
CID 104858435
Methyl 6-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carboxylate
CID 105647676
Methyl 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carboxylate
CID 105648902
Methyl 5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyrazine-2-carboxylate
CID 105648976
Methyl 5-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carboxylate
CID 106177450
3-[2-(Difluoromethoxy)propylamino]pyrazine-2-carboxylic acid
CID 166312206
Methyl 3-[(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 20463837

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate (CID 15914244) is methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate is COC(=O)c1nc(Cl)cnc1NCC(O)CO.
What is the InChIKey of methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate?
The InChIKey is IZOUGZJZASTBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O4/c1-17-9(16)7-8(11-2-5(15)4-14)12-3-6(10)13-7/h3,5,14-15H,2,4H2,1H3,(H,11,12).
What are the key properties of methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate?
methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate has a molecular weight of 261.66 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 15914244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).