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

C13H8FN3 — CID 68841317

IUPAC6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESFc1ccc(-c2ccc3ncncc3n2)cc1
InChIInChI=1S/C13H8FN3/c14-10-3-1-9(2-4-10)11-5-6-12-13(17-11)7-15-8-16-12/h1-8H
InChIKeyDNUBBCAHVONCOK-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.83
Rot. Bonds1

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

6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (PubChem CID 68841317) has the molecular formula C13H8FN3 and a molecular weight of 225.23 g/mol. Its IUPAC name is 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
PubChem CID68841317
Molecular FormulaC13H8FN3
Molecular Weight225.23 g/mol
Exact Mass225.07
IUPAC Name6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESFc1ccc(-c2ccc3ncncc3n2)cc1
InChIInChI=1S/C13H8FN3/c14-10-3-1-9(2-4-10)11-5-6-12-13(17-11)7-15-8-16-12/h1-8H
InChIKeyDNUBBCAHVONCOK-UHFFFAOYSA-N
XLogP2.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (CID 68841317) is 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is Fc1ccc(-c2ccc3ncncc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is DNUBBCAHVONCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3/c14-10-3-1-9(2-4-10)11-5-6-12-13(17-11)7-15-8-16-12/h1-8H.
What are the key properties of 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine has a molecular weight of 225.23 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 68841317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).