methyl 3-fluoro-4-methylpyridine-2-carboxylate

C8H8FNO2 — CID 130618402

IUPACmethyl 3-fluoro-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nccc(C)c1F
InChIInChI=1S/C8H8FNO2/c1-5-3-4-10-7(6(5)9)8(11)12-2/h3-4H,1-2H3
InChIKeyNUIJXMLFFCNJKT-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.32
Rot. Bonds1

About methyl 3-fluoro-4-methylpyridine-2-carboxylate

methyl 3-fluoro-4-methylpyridine-2-carboxylate (PubChem CID 130618402) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is methyl 3-fluoro-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-methylpyridine-2-carboxylate
PubChem CID130618402
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Namemethyl 3-fluoro-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nccc(C)c1F
InChIInChI=1S/C8H8FNO2/c1-5-3-4-10-7(6(5)9)8(11)12-2/h3-4H,1-2H3
InChIKeyNUIJXMLFFCNJKT-UHFFFAOYSA-N
XLogP1.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-fluoro-4-methylpyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate
CID 152564079
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
CID 167762348
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 8-amino-5-fluoroisoquinoline-1-carboxylate
CID 82572045
methyl 7-methylisoquinoline-1-carboxylate
CID 82572057
methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130096872
methyl 4-bromo-3,5-difluoropyridine-2-carboxylate
CID 141301095
methyl 3-amino-4-methoxypyridine-2-carboxylate
CID 146485180
methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate
CID 58894514
methyl 2-tert-butyl-4-methylpyridine-3-carboxylate
CID 118501840

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-4-methylpyridine-2-carboxylate (CID 130618402) is methyl 3-fluoro-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-4-methylpyridine-2-carboxylate is COC(=O)c1nccc(C)c1F.
What is the InChIKey of methyl 3-fluoro-4-methylpyridine-2-carboxylate?
The InChIKey is NUIJXMLFFCNJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5-3-4-10-7(6(5)9)8(11)12-2/h3-4H,1-2H3.
What are the key properties of methyl 3-fluoro-4-methylpyridine-2-carboxylate?
methyl 3-fluoro-4-methylpyridine-2-carboxylate has a molecular weight of 169.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 130618402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).