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

C8H8FNO2 — CID 118989256

IUPACmethyl 2-fluoro-3-methylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(F)c1C
InChIInChI=1S/C8H8FNO2/c1-5-6(8(11)12-2)3-4-10-7(5)9/h3-4H,1-2H3
InChIKeyKCMUVWVASLGRQX-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.32
Rot. Bonds1

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

methyl 2-fluoro-3-methylpyridine-4-carboxylate (PubChem CID 118989256) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is methyl 2-fluoro-3-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-methylpyridine-4-carboxylate
PubChem CID118989256
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Namemethyl 2-fluoro-3-methylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(F)c1C
InChIInChI=1S/C8H8FNO2/c1-5-6(8(11)12-2)3-4-10-7(5)9/h3-4H,1-2H3
InChIKeyKCMUVWVASLGRQX-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

Computed Properties (RDKit)

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

Analyze methyl 2-fluoro-3-methylpyridine-4-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 2-cyano-3-methylpyridine-4-carboxylate
CID 59565228
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
methyl 3-hydroxy-2-iodopyridine-4-carboxylate
CID 167511597
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589
1-phenylethyl 2,3-difluoropyridine-4-carboxylate
CID 105391823

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-fluoro-3-methylpyridine-4-carboxylate (CID 118989256) is methyl 2-fluoro-3-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-fluoro-3-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-fluoro-3-methylpyridine-4-carboxylate is COC(=O)c1ccnc(F)c1C.
What is the InChIKey of methyl 2-fluoro-3-methylpyridine-4-carboxylate?
The InChIKey is KCMUVWVASLGRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5-6(8(11)12-2)3-4-10-7(5)9/h3-4H,1-2H3.
What are the key properties of methyl 2-fluoro-3-methylpyridine-4-carboxylate?
methyl 2-fluoro-3-methylpyridine-4-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 2-fluoro-3-methylpyridine-4-carboxylate is sourced from PubChem (CID 118989256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).