ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate

C12H12ClN3O3 — CID 10379013

IUPACethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNc2cncc(Cl)n2)o1
InChIInChI=1S/C12H12ClN3O3/c1-2-18-12(17)9-4-3-8(19-9)5-15-11-7-14-6-10(13)16-11/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeySZIODTVHFZFRQL-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.51
Rot. Bonds5

About ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate

ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate (PubChem CID 10379013) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate
PubChem CID10379013
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Nameethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNc2cncc(Cl)n2)o1
InChIInChI=1S/C12H12ClN3O3/c1-2-18-12(17)9-4-3-8(19-9)5-15-11-7-14-6-10(13)16-11/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeySZIODTVHFZFRQL-UHFFFAOYSA-N
XLogP2.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
CID 115628469
ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976284
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
ethyl N-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]carbamate
CID 135666649
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate (CID 10379013) is ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNc2cncc(Cl)n2)o1.
What is the InChIKey of ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is SZIODTVHFZFRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-2-18-12(17)9-4-3-8(19-9)5-15-11-7-14-6-10(13)16-11/h3-4,6-7H,2,5H2,1H3,(H,15,16).
What are the key properties of ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 281.70 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 10379013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).