2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine

C13H5Cl2F2N3O — CID 18440621

IUPAC2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
SMILESFc1ccc(Oc2cc3c(Cl)nc(Cl)nc3cn2)c(F)c1
InChIInChI=1S/C13H5Cl2F2N3O/c14-12-7-4-11(18-5-9(7)19-13(15)20-12)21-10-2-1-6(16)3-8(10)17/h1-5H
InChIKeyPVWLGTORGPMASB-UHFFFAOYSA-N
MW328.11 g/mol
LogP4.40
Rot. Bonds2

About 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine

2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine (PubChem CID 18440621) has the molecular formula C13H5Cl2F2N3O and a molecular weight of 328.11 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
PubChem CID18440621
Molecular FormulaC13H5Cl2F2N3O
Molecular Weight328.11 g/mol
Exact Mass326.98
IUPAC Name2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
SMILESFc1ccc(Oc2cc3c(Cl)nc(Cl)nc3cn2)c(F)c1
InChIInChI=1S/C13H5Cl2F2N3O/c14-12-7-4-11(18-5-9(7)19-13(15)20-12)21-10-2-1-6(16)3-8(10)17/h1-5H
InChIKeyPVWLGTORGPMASB-UHFFFAOYSA-N
XLogP4.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine (CID 18440621) is 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine is Fc1ccc(Oc2cc3c(Cl)nc(Cl)nc3cn2)c(F)c1.
What is the InChIKey of 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine?
The InChIKey is PVWLGTORGPMASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F2N3O/c14-12-7-4-11(18-5-9(7)19-13(15)20-12)21-10-2-1-6(16)3-8(10)17/h1-5H.
What are the key properties of 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine?
2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine has a molecular weight of 328.11 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 18440621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).