2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine

C11H10Cl2FN5 — CID 154990721

IUPAC2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(N3CCNCC3)nc(Cl)nc12
InChIInChI=1S/C11H10Cl2FN5/c12-9-7(14)8-6(5-16-9)10(18-11(13)17-8)19-3-1-15-2-4-19/h5,15H,1-4H2
InChIKeySIPUKFSXBAVAST-UHFFFAOYSA-N
MW302.14 g/mol
LogP1.88
Rot. Bonds1

About 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine

2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine (PubChem CID 154990721) has the molecular formula C11H10Cl2FN5 and a molecular weight of 302.14 g/mol. Its IUPAC name is 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine
PubChem CID154990721
Molecular FormulaC11H10Cl2FN5
Molecular Weight302.14 g/mol
Exact Mass301.03
IUPAC Name2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(N3CCNCC3)nc(Cl)nc12
InChIInChI=1S/C11H10Cl2FN5/c12-9-7(14)8-6(5-16-9)10(18-11(13)17-8)19-3-1-15-2-4-19/h5,15H,1-4H2
InChIKeySIPUKFSXBAVAST-UHFFFAOYSA-N
XLogP1.88
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
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 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine (CID 154990721) is 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine is Fc1c(Cl)ncc2c(N3CCNCC3)nc(Cl)nc12.
What is the InChIKey of 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine?
The InChIKey is SIPUKFSXBAVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN5/c12-9-7(14)8-6(5-16-9)10(18-11(13)17-8)19-3-1-15-2-4-19/h5,15H,1-4H2.
What are the key properties of 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine?
2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine has a molecular weight of 302.14 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154990721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).