methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate

C15H13ClN2O4 — CID 54220011

IUPACmethyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1Oc1cncc(Cl)n1
InChIInChI=1S/C15H13ClN2O4/c1-20-9-11(15(19)21-2)10-5-3-4-6-12(10)22-14-8-17-7-13(16)18-14/h3-9H,1-2H3
InChIKeyQBXMPAAFGJRMPN-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.08
Rot. Bonds5

About methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate

methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate (PubChem CID 54220011) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
PubChem CID54220011
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Namemethyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1Oc1cncc(Cl)n1
InChIInChI=1S/C15H13ClN2O4/c1-20-9-11(15(19)21-2)10-5-3-4-6-12(10)22-14-8-17-7-13(16)18-14/h3-9H,1-2H3
InChIKeyQBXMPAAFGJRMPN-UHFFFAOYSA-N
XLogP3.08
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloropyrazin-2-yl)oxybenzoic acid
CID 114335564
methyl 2-[2-[6-[(2-chloro-3-pyridinyl)oxy]pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 54105738
methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54065265
methyl 3-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54282880
methyl (E)-3-methoxy-2-[2-[6-(2-sulfanylphenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 160938995
2-chloro-6-(2-methoxyphenoxy)pyrazine
CID 61057285
methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate
CID 59887477
methyl 2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3,3-dimethoxypropanoate;methyl (E)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxyprop-2-enoate
CID 86306085
methyl 3-methoxy-2-[2-[(4-phenoxy-1,3,5-triazin-2-yl)oxy]phenyl]prop-2-enoate
CID 54201537
methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate
CID 67704171
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 68917139
methyl 2-[2-[6-(2-formamidophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 91090038

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate (CID 54220011) is methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate is COC=C(C(=O)OC)c1ccccc1Oc1cncc(Cl)n1.
What is the InChIKey of methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate?
The InChIKey is QBXMPAAFGJRMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-20-9-11(15(19)21-2)10-5-3-4-6-12(10)22-14-8-17-7-13(16)18-14/h3-9H,1-2H3.
What are the key properties of methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate?
methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate has a molecular weight of 320.73 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 54220011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).