4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine

C8H2Cl2F3N3 — CID 154643904

IUPAC4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(Cl)nc(C(F)F)nc12
InChIInChI=1S/C8H2Cl2F3N3/c9-5-2-1-14-6(10)3(11)4(2)15-8(16-5)7(12)13/h1,7H
InChIKeyAUFOQCOQKQWRLC-UHFFFAOYSA-N
MW268.03 g/mol
LogP3.41
Rot. Bonds1

About 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine

4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine (PubChem CID 154643904) has the molecular formula C8H2Cl2F3N3 and a molecular weight of 268.03 g/mol. Its IUPAC name is 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine
PubChem CID154643904
Molecular FormulaC8H2Cl2F3N3
Molecular Weight268.03 g/mol
Exact Mass266.96
IUPAC Name4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(Cl)nc(C(F)F)nc12
InChIInChI=1S/C8H2Cl2F3N3/c9-5-2-1-14-6(10)3(11)4(2)15-8(16-5)7(12)13/h1,7H
InChIKeyAUFOQCOQKQWRLC-UHFFFAOYSA-N
XLogP3.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 53.41
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-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine?
The IUPAC name of 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine (CID 154643904) is 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine is Fc1c(Cl)ncc2c(Cl)nc(C(F)F)nc12.
What is the InChIKey of 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine?
The InChIKey is AUFOQCOQKQWRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F3N3/c9-5-2-1-14-6(10)3(11)4(2)15-8(16-5)7(12)13/h1,7H.
What are the key properties of 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine?
4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine has a molecular weight of 268.03 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154643904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).