pyrido[2,3-d]pyrimidin-3-ium

C7H6N3+ — CID 173052686

IUPACpyrido[2,3-d]pyrimidin-3-ium
SMILESc1cnc2nc[nH+]cc2c1
InChIInChI=1S/C7H5N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1-5H/p+1
InChIKeyUDJFFSGCRRMVFH-UHFFFAOYSA-O
MW132.15 g/mol
LogP0.44
Rot. Bonds

About pyrido[2,3-d]pyrimidin-3-ium

pyrido[2,3-d]pyrimidin-3-ium (PubChem CID 173052686) has the molecular formula C7H6N3+ and a molecular weight of 132.15 g/mol. Its IUPAC name is pyrido[2,3-d]pyrimidin-3-ium.

Molecular Properties

Compound Namepyrido[2,3-d]pyrimidin-3-ium
PubChem CID173052686
Molecular FormulaC7H6N3+
Molecular Weight132.15 g/mol
Exact Mass132.06
IUPAC Namepyrido[2,3-d]pyrimidin-3-ium
SMILESc1cnc2nc[nH+]cc2c1
InChIInChI=1S/C7H5N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1-5H/p+1
InChIKeyUDJFFSGCRRMVFH-UHFFFAOYSA-O
XLogP0.44
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-d]pyrimidin-3-ium?
The IUPAC name of pyrido[2,3-d]pyrimidin-3-ium (CID 173052686) is pyrido[2,3-d]pyrimidin-3-ium.
What is the SMILES notation for pyrido[2,3-d]pyrimidin-3-ium?
The canonical SMILES for pyrido[2,3-d]pyrimidin-3-ium is c1cnc2nc[nH+]cc2c1.
What is the InChIKey of pyrido[2,3-d]pyrimidin-3-ium?
The InChIKey is UDJFFSGCRRMVFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H5N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1-5H/p+1.
What are the key properties of pyrido[2,3-d]pyrimidin-3-ium?
pyrido[2,3-d]pyrimidin-3-ium has a molecular weight of 132.15 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-d]pyrimidin-3-ium is sourced from PubChem (CID 173052686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).