4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine

C8H4Cl2FN3 — CID 154644407

IUPAC4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C8H4Cl2FN3/c1-3-13-6-4(7(9)14-3)2-12-8(10)5(6)11/h2H,1H3
InChIKeyIIBDCDSLIMASNG-UHFFFAOYSA-N
MW232.04 g/mol
LogP2.78
Rot. Bonds

About 4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine

4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine (PubChem CID 154644407) has the molecular formula C8H4Cl2FN3 and a molecular weight of 232.04 g/mol. Its IUPAC name is 4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
PubChem CID154644407
Molecular FormulaC8H4Cl2FN3
Molecular Weight232.04 g/mol
Exact Mass230.98
IUPAC Name4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C8H4Cl2FN3/c1-3-13-6-4(7(9)14-3)2-12-8(10)5(6)11/h2H,1H3
InChIKeyIIBDCDSLIMASNG-UHFFFAOYSA-N
XLogP2.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 52.78
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-fluoro-2-methylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine (CID 154644407) is 4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine is Cc1nc(Cl)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine?
The InChIKey is IIBDCDSLIMASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN3/c1-3-13-6-4(7(9)14-3)2-12-8(10)5(6)11/h2H,1H3.
What are the key properties of 4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine?
4,7-dichloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine has a molecular weight of 232.04 g/mol, XLogP of 2.78, 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-fluoro-2-methylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154644407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).