methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate

C10H10FNO2 — CID 176931220

IUPACmethyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate
SMILESC=C(C)c1ccc(C(=O)OC)c(F)n1
InChIInChI=1S/C10H10FNO2/c1-6(2)8-5-4-7(9(11)12-8)10(13)14-3/h4-5H,1H2,2-3H3
InChIKeyQEHLHPMGMRBCNI-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.04
Rot. Bonds2

About methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate

methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate (PubChem CID 176931220) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate
PubChem CID176931220
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate
SMILESC=C(C)c1ccc(C(=O)OC)c(F)n1
InChIInChI=1S/C10H10FNO2/c1-6(2)8-5-4-7(9(11)12-8)10(13)14-3/h4-5H,1H2,2-3H3
InChIKeyQEHLHPMGMRBCNI-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate (CID 176931220) is methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate is C=C(C)c1ccc(C(=O)OC)c(F)n1.
What is the InChIKey of methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate?
The InChIKey is QEHLHPMGMRBCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6(2)8-5-4-7(9(11)12-8)10(13)14-3/h4-5H,1H2,2-3H3.
What are the key properties of methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate?
methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate has a molecular weight of 195.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 176931220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).