2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde

C11H14FN3O — CID 10632859

IUPAC2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde
SMILESCN1CCN(c2ccc(C=O)c(F)n2)CC1
InChIInChI=1S/C11H14FN3O/c1-14-4-6-15(7-5-14)10-3-2-9(8-16)11(12)13-10/h2-3,8H,4-7H2,1H3
InChIKeyCSXRKUXLKHHKDW-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.79
Rot. Bonds2

About 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde

2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde (PubChem CID 10632859) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde
PubChem CID10632859
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde
SMILESCN1CCN(c2ccc(C=O)c(F)n2)CC1
InChIInChI=1S/C11H14FN3O/c1-14-4-6-15(7-5-14)10-3-2-9(8-16)11(12)13-10/h2-3,8H,4-7H2,1H3
InChIKeyCSXRKUXLKHHKDW-UHFFFAOYSA-N
XLogP0.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde (CID 10632859) is 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde is CN1CCN(c2ccc(C=O)c(F)n2)CC1.
What is the InChIKey of 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is CSXRKUXLKHHKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-14-4-6-15(7-5-14)10-3-2-9(8-16)11(12)13-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde?
2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 223.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methylpiperazin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 10632859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).