1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol

C12H11Cl2FN4O — CID 164534531

IUPAC1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(Cl)nc3c(F)c(Cl)ncc23)C1
InChIInChI=1S/C12H11Cl2FN4O/c13-10-8(15)9-7(4-16-10)11(18-12(14)17-9)19-3-1-2-6(20)5-19/h4,6,20H,1-3,5H2
InChIKeyQQPKWUJRIBDIOX-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.43
Rot. Bonds1

About 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol

1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 164534531) has the molecular formula C12H11Cl2FN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID164534531
Molecular FormulaC12H11Cl2FN4O
Molecular Weight317.15 g/mol
Exact Mass316.03
IUPAC Name1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(Cl)nc3c(F)c(Cl)ncc23)C1
InChIInChI=1S/C12H11Cl2FN4O/c13-10-8(15)9-7(4-16-10)11(18-12(14)17-9)19-3-1-2-6(20)5-19/h4,6,20H,1-3,5H2
InChIKeyQQPKWUJRIBDIOX-UHFFFAOYSA-N
XLogP2.43
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.43
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 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol (CID 164534531) is 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol is OC1CCCN(c2nc(Cl)nc3c(F)c(Cl)ncc23)C1.
What is the InChIKey of 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is QQPKWUJRIBDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN4O/c13-10-8(15)9-7(4-16-10)11(18-12(14)17-9)19-3-1-2-6(20)5-19/h4,6,20H,1-3,5H2.
What are the key properties of 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 317.15 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 164534531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).