methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate

C10H10ClNO3 — CID 169479054

IUPACmethyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Cl)cnc1OC
InChIInChI=1S/C10H10ClNO3/c1-14-9(13)4-3-7-5-8(11)6-12-10(7)15-2/h3-6H,1-2H3
InChIKeyRVUYZLRPJZRQDJ-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.93
Rot. Bonds3

About methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate

methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate (PubChem CID 169479054) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
PubChem CID169479054
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namemethyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Cl)cnc1OC
InChIInChI=1S/C10H10ClNO3/c1-14-9(13)4-3-7-5-8(11)6-12-10(7)15-2/h3-6H,1-2H3
InChIKeyRVUYZLRPJZRQDJ-UHFFFAOYSA-N
XLogP1.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
CID 138114377
methyl 3-(5-chloro-3-fluoro-2-pyridinyl)prop-2-enoate
CID 169478798
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
CID 169478969
3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine
CID 169475561
methyl 3-(2-chloro-4-methylpyrimidin-5-yl)prop-2-enoate
CID 169478723
methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate
CID 169479768
methyl 3-(4-chloro-2-formylphenyl)prop-2-enoate
CID 75631786
methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
CID 169479153
methyl 3-(4-amino-2-chloropyrimidin-5-yl)prop-2-enoate
CID 169478827
(Z)-3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoic acid
CID 42553141
methyl 3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169478813

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate (CID 169479054) is methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate is COC(=O)C=Cc1cc(Cl)cnc1OC.
What is the InChIKey of methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate?
The InChIKey is RVUYZLRPJZRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-14-9(13)4-3-7-5-8(11)6-12-10(7)15-2/h3-6H,1-2H3.
What are the key properties of methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate?
methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate has a molecular weight of 227.65 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169479054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).