2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one

C8H7N3O2 — CID 142266200

IUPAC2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(CO)nc2[nH]1
InChIInChI=1S/C8H7N3O2/c12-4-6-9-3-5-1-2-7(13)11-8(5)10-6/h1-3,12H,4H2,(H,9,10,11,13)
InChIKeyKHFNCHWLMLPTCK-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.19
Rot. Bonds1

About 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one

2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 142266200) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID142266200
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(CO)nc2[nH]1
InChIInChI=1S/C8H7N3O2/c12-4-6-9-3-5-1-2-7(13)11-8(5)10-6/h1-3,12H,4H2,(H,9,10,11,13)
InChIKeyKHFNCHWLMLPTCK-UHFFFAOYSA-N
XLogP-0.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 142266200) is 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(CO)nc2[nH]1.
What is the InChIKey of 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KHFNCHWLMLPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-4-6-9-3-5-1-2-7(13)11-8(5)10-6/h1-3,12H,4H2,(H,9,10,11,13).
What are the key properties of 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 177.16 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142266200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).