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

C9H10FNO2 — CID 118048307

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

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

methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate (PubChem CID 118048307) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate
PubChem CID118048307
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namemethyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CF)c(C)n1
InChIInChI=1S/C9H10FNO2/c1-6-7(5-10)3-4-8(11-6)9(12)13-2/h3-4H,5H2,1-2H3
InChIKeyQNXKWLYBBLNFTG-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 6-(fluoromethyl)-5-methylpyridine-2-carboxylate
CID 176600197
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
ethyl 6-methyl-5-(2-methylpropyl)pyridine-2-carboxylate
CID 66933471
methyl 6-[2,6-difluoro-3-(2-oxopropyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 160623655
5-ethyl-N,6-dimethylpyridine-2-carboxamide
CID 166088986
5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide
CID 82503638
5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
CID 176920520
methyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 15281236
methyl 5-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 12619145
methyl 6-chloro-5-(2-ethoxycarbonyl-3-hydroxyprop-2-enyl)pyridine-2-carboxylate
CID 173140587
methyl 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylate
CID 131297984

Frequently Asked Questions

What is the IUPAC name of methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate (CID 118048307) is methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate is COC(=O)c1ccc(CF)c(C)n1.
What is the InChIKey of methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate?
The InChIKey is QNXKWLYBBLNFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6-7(5-10)3-4-8(11-6)9(12)13-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate?
methyl 5-(fluoromethyl)-6-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 5-(fluoromethyl)-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 118048307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).