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

C12H11Cl2FN4 — CID 164534899

IUPAC2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(N3CCCCC3)nc(Cl)nc12
InChIInChI=1S/C12H11Cl2FN4/c13-10-8(15)9-7(6-16-10)11(18-12(14)17-9)19-4-2-1-3-5-19/h6H,1-5H2
InChIKeyHHAMTFDENDEBSM-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.46
Rot. Bonds1

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

2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine (PubChem CID 164534899) has the molecular formula C12H11Cl2FN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine
PubChem CID164534899
Molecular FormulaC12H11Cl2FN4
Molecular Weight301.15 g/mol
Exact Mass300.03
IUPAC Name2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(N3CCCCC3)nc(Cl)nc12
InChIInChI=1S/C12H11Cl2FN4/c13-10-8(15)9-7(6-16-10)11(18-12(14)17-9)19-4-2-1-3-5-19/h6H,1-5H2
InChIKeyHHAMTFDENDEBSM-UHFFFAOYSA-N
XLogP3.46
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-piperidin-1-ylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine (CID 164534899) is 2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine is Fc1c(Cl)ncc2c(N3CCCCC3)nc(Cl)nc12.
What is the InChIKey of 2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine?
The InChIKey is HHAMTFDENDEBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN4/c13-10-8(15)9-7(6-16-10)11(18-12(14)17-9)19-4-2-1-3-5-19/h6H,1-5H2.
What are the key properties of 2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine?
2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine has a molecular weight of 301.15 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-8-fluoro-4-piperidin-1-ylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 164534899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).