5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine

C13H13ClFN5 — CID 171998892

IUPAC5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESFc1cccc(N2CCN(c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C13H13ClFN5/c14-10-8-16-13(17-9-10)20-6-4-19(5-7-20)12-3-1-2-11(15)18-12/h1-3,8-9H,4-7H2
InChIKeyQQCDDQXNOGJTDY-UHFFFAOYSA-N
MW293.73 g/mol
LogP1.99
Rot. Bonds2

About 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine

5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 171998892) has the molecular formula C13H13ClFN5 and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID171998892
Molecular FormulaC13H13ClFN5
Molecular Weight293.73 g/mol
Exact Mass293.08
IUPAC Name5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESFc1cccc(N2CCN(c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C13H13ClFN5/c14-10-8-16-13(17-9-10)20-6-4-19(5-7-20)12-3-1-2-11(15)18-12/h1-3,8-9H,4-7H2
InChIKeyQQCDDQXNOGJTDY-UHFFFAOYSA-N
XLogP1.99
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine (CID 171998892) is 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine is Fc1cccc(N2CCN(c3ncc(Cl)cn3)CC2)n1.
What is the InChIKey of 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is QQCDDQXNOGJTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5/c14-10-8-16-13(17-9-10)20-6-4-19(5-7-20)12-3-1-2-11(15)18-12/h1-3,8-9H,4-7H2.
What are the key properties of 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine?
5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine has a molecular weight of 293.73 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171998892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).