5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid

C8H8FNO3 — CID 66666325

IUPAC5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(OCF)cnc1C(=O)O
InChIInChI=1S/C8H8FNO3/c1-5-2-6(13-4-9)3-10-7(5)8(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyKZXSCWLOBIXLAH-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.39
Rot. Bonds3

About 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid

5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid (PubChem CID 66666325) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid
PubChem CID66666325
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(OCF)cnc1C(=O)O
InChIInChI=1S/C8H8FNO3/c1-5-2-6(13-4-9)3-10-7(5)8(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyKZXSCWLOBIXLAH-UHFFFAOYSA-N
XLogP1.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid (CID 66666325) is 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid is Cc1cc(OCF)cnc1C(=O)O.
What is the InChIKey of 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid?
The InChIKey is KZXSCWLOBIXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-5-2-6(13-4-9)3-10-7(5)8(11)12/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid?
5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid has a molecular weight of 185.15 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxy)-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 66666325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).