7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine

C15H11ClFN3O — CID 156645591

IUPAC7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine
SMILESCc1nc(OCc2ccccc2)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C15H11ClFN3O/c1-9-19-13-11(7-18-14(16)12(13)17)15(20-9)21-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyCIZMBXVLIAJMDL-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.70
Rot. Bonds3

About 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine

7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine (PubChem CID 156645591) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine
PubChem CID156645591
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine
SMILESCc1nc(OCc2ccccc2)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C15H11ClFN3O/c1-9-19-13-11(7-18-14(16)12(13)17)15(20-9)21-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyCIZMBXVLIAJMDL-UHFFFAOYSA-N
XLogP3.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine (CID 156645591) is 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine is Cc1nc(OCc2ccccc2)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine?
The InChIKey is CIZMBXVLIAJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-9-19-13-11(7-18-14(16)12(13)17)15(20-9)21-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine?
7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine has a molecular weight of 303.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine is sourced from PubChem (CID 156645591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).