3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid

C11H14FN3O2 — CID 105381703

IUPAC3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESCN1CCN(c2nccc(C(=O)O)c2F)CC1
InChIInChI=1S/C11H14FN3O2/c1-14-4-6-15(7-5-14)10-9(12)8(11(16)17)2-3-13-10/h2-3H,4-7H2,1H3,(H,16,17)
InChIKeyJPAKXDBSUWSFCA-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.67
Rot. Bonds2

About 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid

3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid (PubChem CID 105381703) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
PubChem CID105381703
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESCN1CCN(c2nccc(C(=O)O)c2F)CC1
InChIInChI=1S/C11H14FN3O2/c1-14-4-6-15(7-5-14)10-9(12)8(11(16)17)2-3-13-10/h2-3H,4-7H2,1H3,(H,16,17)
InChIKeyJPAKXDBSUWSFCA-UHFFFAOYSA-N
XLogP0.67
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid (CID 105381703) is 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid is CN1CCN(c2nccc(C(=O)O)c2F)CC1.
What is the InChIKey of 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is JPAKXDBSUWSFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-14-4-6-15(7-5-14)10-9(12)8(11(16)17)2-3-13-10/h2-3H,4-7H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 105381703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).