methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate

C11H11ClN2O3 — CID 169233632

IUPACmethyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc2oc(C(C)C)c(Cl)c2n1
InChIInChI=1S/C11H11ClN2O3/c1-5(2)9-7(12)8-10(17-9)13-4-6(14-8)11(15)16-3/h4-5H,1-3H3
InChIKeyNXUPFSYWGFQDIR-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.79
Rot. Bonds2

About methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate

methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate (PubChem CID 169233632) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate
PubChem CID169233632
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Namemethyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc2oc(C(C)C)c(Cl)c2n1
InChIInChI=1S/C11H11ClN2O3/c1-5(2)9-7(12)8-10(17-9)13-4-6(14-8)11(15)16-3/h4-5H,1-3H3
InChIKeyNXUPFSYWGFQDIR-UHFFFAOYSA-N
XLogP2.79
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl furo[2,3-b]pyrazine-2-carboxylate
CID 118656900
methyl 7-bromo-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 138111834
methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate
CID 169233130
methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 58874245
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
CID 130210234
methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
CID 131265035
methyl 5-bromo-6-(4-chlorophenyl)pyrazine-2-carboxylate
CID 86619571
(5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate
CID 159914654
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
methyl 2,5-dichloro-1,3-oxazole-4-carboxylate
CID 83680359

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate?
The IUPAC name of methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate (CID 169233632) is methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate?
The canonical SMILES for methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate is COC(=O)c1cnc2oc(C(C)C)c(Cl)c2n1.
What is the InChIKey of methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate?
The InChIKey is NXUPFSYWGFQDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-5(2)9-7(12)8-10(17-9)13-4-6(14-8)11(15)16-3/h4-5H,1-3H3.
What are the key properties of methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate?
methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate has a molecular weight of 254.67 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-6-propan-2-ylfuro[2,3-b]pyrazine-2-carboxylate is sourced from PubChem (CID 169233632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).