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

C9H10FNO3 — CID 86715854

IUPAC5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(OCCF)cnc1C(=O)O
InChIInChI=1S/C9H10FNO3/c1-6-4-7(14-3-2-10)5-11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeySJMQIYRGUYXBJF-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.44
Rot. Bonds4

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

5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid (PubChem CID 86715854) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid
PubChem CID86715854
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(OCCF)cnc1C(=O)O
InChIInChI=1S/C9H10FNO3/c1-6-4-7(14-3-2-10)5-11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeySJMQIYRGUYXBJF-UHFFFAOYSA-N
XLogP1.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid (CID 86715854) is 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid is Cc1cc(OCCF)cnc1C(=O)O.
What is the InChIKey of 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid?
The InChIKey is SJMQIYRGUYXBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-6-4-7(14-3-2-10)5-11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid?
5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid has a molecular weight of 199.18 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxy)-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 86715854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).