methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate

C16H16FNO2 — CID 144559796

IUPACmethyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2cc(F)cc(C)c2C)n1
InChIInChI=1S/C16H16FNO2/c1-10-7-13(17)8-12(11(10)2)9-14-5-4-6-15(18-14)16(19)20-3/h4-8H,9H2,1-3H3
InChIKeyLPPDMESMVDPDAP-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.21
Rot. Bonds3

About methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate

methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate (PubChem CID 144559796) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate
PubChem CID144559796
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namemethyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2cc(F)cc(C)c2C)n1
InChIInChI=1S/C16H16FNO2/c1-10-7-13(17)8-12(11(10)2)9-14-5-4-6-15(18-14)16(19)20-3/h4-8H,9H2,1-3H3
InChIKeyLPPDMESMVDPDAP-UHFFFAOYSA-N
XLogP3.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-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 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-[[2-(3,6-dihydro-2H-pyridin-1-yl)-6-fluoro-1,3-benzothiazol-4-yl]methyl]pyridine-2-carboxylate
CID 144559669
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 69097132
methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097172
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
CID 106905121
methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 68755403
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate (CID 144559796) is methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2cc(F)cc(C)c2C)n1.
What is the InChIKey of methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate?
The InChIKey is LPPDMESMVDPDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-7-13(17)8-12(11(10)2)9-14-5-4-6-15(18-14)16(19)20-3/h4-8H,9H2,1-3H3.
What are the key properties of methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate?
methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 144559796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).