4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine

C7H2Cl2FN3 — CID 154644084

IUPAC4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(Cl)ncnc12
InChIInChI=1S/C7H2Cl2FN3/c8-6-3-1-11-7(9)4(10)5(3)12-2-13-6/h1-2H
InChIKeyQLYAWOKSYVXHSX-UHFFFAOYSA-N
MW218.02 g/mol
LogP2.47
Rot. Bonds

About 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine

4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine (PubChem CID 154644084) has the molecular formula C7H2Cl2FN3 and a molecular weight of 218.02 g/mol. Its IUPAC name is 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
PubChem CID154644084
Molecular FormulaC7H2Cl2FN3
Molecular Weight218.02 g/mol
Exact Mass216.96
IUPAC Name4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(Cl)ncnc12
InChIInChI=1S/C7H2Cl2FN3/c8-6-3-1-11-7(9)4(10)5(3)12-2-13-6/h1-2H
InChIKeyQLYAWOKSYVXHSX-UHFFFAOYSA-N
XLogP2.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine?
The IUPAC name of 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine (CID 154644084) is 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine is Fc1c(Cl)ncc2c(Cl)ncnc12.
What is the InChIKey of 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine?
The InChIKey is QLYAWOKSYVXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FN3/c8-6-3-1-11-7(9)4(10)5(3)12-2-13-6/h1-2H.
What are the key properties of 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine?
4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine has a molecular weight of 218.02 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154644084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).