methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate

C15H12ClNO4 — CID 67704171

IUPACmethyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate
SMILESCOC(=O)C(=CO)c1ccccc1Oc1ccc(Cl)cn1
InChIInChI=1S/C15H12ClNO4/c1-20-15(19)12(9-18)11-4-2-3-5-13(11)21-14-7-6-10(16)8-17-14/h2-9,18H,1H3
InChIKeyAPOLBMGNEHRJHU-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.60
Rot. Bonds4

About methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate

methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate (PubChem CID 67704171) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate
PubChem CID67704171
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Namemethyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate
SMILESCOC(=O)C(=CO)c1ccccc1Oc1ccc(Cl)cn1
InChIInChI=1S/C15H12ClNO4/c1-20-15(19)12(9-18)11-4-2-3-5-13(11)21-14-7-6-10(16)8-17-14/h2-9,18H,1H3
InChIKeyAPOLBMGNEHRJHU-UHFFFAOYSA-N
XLogP3.60
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]but-2-enoate
CID 59887477
methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54065265
5-chloro-2-(2-methoxyphenoxy)pyridine
CID 66233202
methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
CID 54220011
1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485445
methyl 2-[2-[6-[(2-chloro-3-pyridinyl)oxy]pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 54105738
5-chloro-2-(2-propan-2-ylphenoxy)pyridine
CID 66234112
methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate
CID 67860583
methyl (Z)-3-amino-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 177433977
methyl (E)-3-methoxy-2-[2-[6-(2-sulfanylphenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 160938995
methyl 3-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54282880
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 68917139

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate?
The IUPAC name of methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate (CID 67704171) is methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate.
What is the SMILES notation for methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate?
The canonical SMILES for methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate is COC(=O)C(=CO)c1ccccc1Oc1ccc(Cl)cn1.
What is the InChIKey of methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate?
The InChIKey is APOLBMGNEHRJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-20-15(19)12(9-18)11-4-2-3-5-13(11)21-14-7-6-10(16)8-17-14/h2-9,18H,1H3.
What are the key properties of methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate?
methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate has a molecular weight of 305.72 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate is sourced from PubChem (CID 67704171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).