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

C8H4Cl2FN3 — CID 167120223

IUPAC2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C8H4Cl2FN3/c1-3-4-2-12-7(9)5(11)6(4)14-8(10)13-3/h2H,1H3
InChIKeyCSOBVMPEQQRLFO-UHFFFAOYSA-N
MW232.04 g/mol
LogP2.78
Rot. Bonds

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

2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine (PubChem CID 167120223) has the molecular formula C8H4Cl2FN3 and a molecular weight of 232.04 g/mol. Its IUPAC name is 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
PubChem CID167120223
Molecular FormulaC8H4Cl2FN3
Molecular Weight232.04 g/mol
Exact Mass230.98
IUPAC Name2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C8H4Cl2FN3/c1-3-4-2-12-7(9)5(11)6(4)14-8(10)13-3/h2H,1H3
InChIKeyCSOBVMPEQQRLFO-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 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine (CID 167120223) is 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine is Cc1nc(Cl)nc2c(F)c(Cl)ncc12.
What is the InChIKey of 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine?
The InChIKey is CSOBVMPEQQRLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN3/c1-3-4-2-12-7(9)5(11)6(4)14-8(10)13-3/h2H,1H3.
What are the key properties of 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine?
2,7-dichloro-8-fluoro-4-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 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167120223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).