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

C11H13ClFN3O2 — CID 139405647

IUPAC5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESCN1CCN(c2ncc(Cl)c(C(=O)O)c2F)CC1
InChIInChI=1S/C11H13ClFN3O2/c1-15-2-4-16(5-3-15)10-9(13)8(11(17)18)7(12)6-14-10/h6H,2-5H2,1H3,(H,17,18)
InChIKeyDGZPITFPVRCMBO-UHFFFAOYSA-N
MW273.69 g/mol
LogP1.32
Rot. Bonds2

About 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid

5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid (PubChem CID 139405647) has the molecular formula C11H13ClFN3O2 and a molecular weight of 273.69 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
PubChem CID139405647
Molecular FormulaC11H13ClFN3O2
Molecular Weight273.69 g/mol
Exact Mass273.07
IUPAC Name5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESCN1CCN(c2ncc(Cl)c(C(=O)O)c2F)CC1
InChIInChI=1S/C11H13ClFN3O2/c1-15-2-4-16(5-3-15)10-9(13)8(11(17)18)7(12)6-14-10/h6H,2-5H2,1H3,(H,17,18)
InChIKeyDGZPITFPVRCMBO-UHFFFAOYSA-N
XLogP1.32
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid (CID 139405647) is 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid is CN1CCN(c2ncc(Cl)c(C(=O)O)c2F)CC1.
What is the InChIKey of 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is DGZPITFPVRCMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O2/c1-15-2-4-16(5-3-15)10-9(13)8(11(17)18)7(12)6-14-10/h6H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 273.69 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 139405647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).