methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate

C15H13ClN2O3 — CID 59887477

IUPACmethyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate
SMILESC/C=C(\C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1
InChIInChI=1S/C15H13ClN2O3/c1-3-10(15(19)20-2)11-6-4-5-7-12(11)21-14-8-13(16)17-9-18-14/h3-9H,1-2H3/b10-3-
InChIKeyUHBMCCGRVORVEN-KMKOMSMNSA-N
MW304.73 g/mol
LogP3.50
Rot. Bonds4

About methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate

methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate (PubChem CID 59887477) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate
PubChem CID59887477
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Namemethyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate
SMILESC/C=C(\C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1
InChIInChI=1S/C15H13ClN2O3/c1-3-10(15(19)20-2)11-6-4-5-7-12(11)21-14-8-13(16)17-9-18-14/h3-9H,1-2H3/b10-3-
InChIKeyUHBMCCGRVORVEN-KMKOMSMNSA-N
XLogP3.50
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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 2-[2-[6-[(2-chloro-3-pyridinyl)oxy]pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 54105738
methyl (E)-3-methoxy-2-[2-[6-(2-sulfanylphenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 160938995
(E)-2-[2-[6-[(2-chloro-3-pyridinyl)oxy]pyrimidin-4-yl]oxyphenyl]but-2-enoic acid
CID 87445891
methyl 2-[2-[6-(2-formamidophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 91090038
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 68917139
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 6537969
methyl (Z)-3-amino-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 177433977
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-(dimethylamino)prop-2-enoate
CID 139512704
methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate
CID 67704171
methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
CID 54220011
4-chloro-6-[2-[(E)-1-hydroperoxy-4,4-dimethoxybut-2-en-2-yl]phenoxy]pyrimidine
CID 164800143

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate?
The IUPAC name of methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate (CID 59887477) is methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate?
The canonical SMILES for methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate is C/C=C(\C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1.
What is the InChIKey of methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate?
The InChIKey is UHBMCCGRVORVEN-KMKOMSMNSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-3-10(15(19)20-2)11-6-4-5-7-12(11)21-14-8-13(16)17-9-18-14/h3-9H,1-2H3/b10-3-.
What are the key properties of methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate?
methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate has a molecular weight of 304.73 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate is sourced from PubChem (CID 59887477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).