3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid

C9H8FNO4 — CID 162377368

IUPAC3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(F)c(C(=O)O)nc1C
InChIInChI=1S/C9H8FNO4/c1-4-5(9(14)15-2)3-6(10)7(11-4)8(12)13/h3H,1-2H3,(H,12,13)
InChIKeyGBRPNOQLPRTMFZ-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.01
Rot. Bonds2

About 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid

3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid (PubChem CID 162377368) has the molecular formula C9H8FNO4 and a molecular weight of 213.16 g/mol. Its IUPAC name is 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
PubChem CID162377368
Molecular FormulaC9H8FNO4
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(F)c(C(=O)O)nc1C
InChIInChI=1S/C9H8FNO4/c1-4-5(9(14)15-2)3-6(10)7(11-4)8(12)13/h3H,1-2H3,(H,12,13)
InChIKeyGBRPNOQLPRTMFZ-UHFFFAOYSA-N
XLogP1.01
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377384
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
methyl 5-methoxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670013
3-chloro-5-fluoro-6-methylpyridine-2-carboxylic acid
CID 142574349
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 2-(bromomethyl)-5-fluoro-4-methylbenzoate
CID 171018123
methyl 2,5-difluoro-4-nitrosobenzoate
CID 145120849
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid
CID 172793833
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid (CID 162377368) is 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid is COC(=O)c1cc(F)c(C(=O)O)nc1C.
What is the InChIKey of 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid?
The InChIKey is GBRPNOQLPRTMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO4/c1-4-5(9(14)15-2)3-6(10)7(11-4)8(12)13/h3H,1-2H3,(H,12,13).
What are the key properties of 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid?
3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid has a molecular weight of 213.16 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 162377368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).