methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate

C9H10FNO2 — CID 176600197

IUPACmethyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C)c(CF)n1
InChIInChI=1S/C9H10FNO2/c1-6-3-4-7(9(12)13-2)11-8(6)5-10/h3-4H,5H2,1-2H3
InChIKeyBRMMDOLUJGLHQF-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.65
Rot. Bonds2

About methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate

methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate (PubChem CID 176600197) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate
PubChem CID176600197
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namemethyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C)c(CF)n1
InChIInChI=1S/C9H10FNO2/c1-6-3-4-7(9(12)13-2)11-8(6)5-10/h3-4H,5H2,1-2H3
InChIKeyBRMMDOLUJGLHQF-UHFFFAOYSA-N
XLogP1.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate
CID 118048307
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
ethyl 6-benzyl-5-methylpyridine-2-carboxylate
CID 25194907
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
6-methoxy-5-methylpyridine-2-carbohydrazide
CID 71463777
methyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 15281236
methyl 5-methyl-6-piperidin-1-ylsulfanylpyridine-2-carboxylate
CID 134424082
methyl 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylate
CID 131297984
methyl 7-chloro-8-methylquinoline-2-carboxylate
CID 102941507
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
ethane;methyl 6-bromo-3-methylpyridine-2-carboxylate
CID 169269843

Frequently Asked Questions

What is the IUPAC name of methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate (CID 176600197) is methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate is COC(=O)c1ccc(C)c(CF)n1.
What is the InChIKey of methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate?
The InChIKey is BRMMDOLUJGLHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6-3-4-7(9(12)13-2)11-8(6)5-10/h3-4H,5H2,1-2H3.
What are the key properties of methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate?
methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate has a molecular weight of 183.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 176600197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).