5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine

C9H8FN3 — CID 176567244

IUPAC5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine
SMILESCc1cc(F)c2c(C)ncnc2n1
InChIInChI=1S/C9H8FN3/c1-5-3-7(10)8-6(2)11-4-12-9(8)13-5/h3-4H,1-2H3
InChIKeyOAPVYQKFPPNBML-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.78
Rot. Bonds

About 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine

5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine (PubChem CID 176567244) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine
PubChem CID176567244
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine
SMILESCc1cc(F)c2c(C)ncnc2n1
InChIInChI=1S/C9H8FN3/c1-5-3-7(10)8-6(2)11-4-12-9(8)13-5/h3-4H,1-2H3
InChIKeyOAPVYQKFPPNBML-UHFFFAOYSA-N
XLogP1.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine?
The IUPAC name of 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine (CID 176567244) is 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine is Cc1cc(F)c2c(C)ncnc2n1.
What is the InChIKey of 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine?
The InChIKey is OAPVYQKFPPNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c1-5-3-7(10)8-6(2)11-4-12-9(8)13-5/h3-4H,1-2H3.
What are the key properties of 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine?
5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine has a molecular weight of 177.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,7-dimethylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 176567244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).