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

C10H10FNO3 — CID 169479055

IUPACmethyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(F)cnc1OC
InChIInChI=1S/C10H10FNO3/c1-14-9(13)4-3-7-5-8(11)6-12-10(7)15-2/h3-6H,1-2H3
InChIKeyOGBHPPUMPUCRKM-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.42
Rot. Bonds3

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

methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate (PubChem CID 169479055) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
PubChem CID169479055
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Namemethyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(F)cnc1OC
InChIInChI=1S/C10H10FNO3/c1-14-9(13)4-3-7-5-8(11)6-12-10(7)15-2/h3-6H,1-2H3
InChIKeyOGBHPPUMPUCRKM-UHFFFAOYSA-N
XLogP1.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.42
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-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479054
methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
CID 138114377
N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
CID 169465531
methyl 3-(5-fluoro-3-methyl-2-pyridinyl)prop-2-enoate
CID 169478775
3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 169463640
methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate
CID 169478778
4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495839
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
CID 169478969
4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-ene-1-thiol
CID 170478403
tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170490540
methyl 3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 131865158
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
CID 53338930

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate (CID 169479055) is methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate is COC(=O)C=Cc1cc(F)cnc1OC.
What is the InChIKey of methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate?
The InChIKey is OGBHPPUMPUCRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/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-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate?
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate has a molecular weight of 211.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169479055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).