methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate

C10H10FNO2 — CID 169478778

IUPACmethyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(F)cc1C
InChIInChI=1S/C10H10FNO2/c1-7-5-9(11)12-6-8(7)3-4-10(13)14-2/h3-6H,1-2H3
InChIKeyVFROQLJBIJHICJ-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.72
Rot. Bonds2

About methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate

methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate (PubChem CID 169478778) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate
PubChem CID169478778
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(F)cc1C
InChIInChI=1S/C10H10FNO2/c1-7-5-9(11)12-6-8(7)3-4-10(13)14-2/h3-6H,1-2H3
InChIKeyVFROQLJBIJHICJ-UHFFFAOYSA-N
XLogP1.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate (CID 169478778) is methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate is COC(=O)C=Cc1cnc(F)cc1C.
What is the InChIKey of methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate?
The InChIKey is VFROQLJBIJHICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-7-5-9(11)12-6-8(7)3-4-10(13)14-2/h3-6H,1-2H3.
What are the key properties of methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate?
methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate has a molecular weight of 195.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169478778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).