4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C7H6ClN3O — CID 59421449

IUPAC4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2c(Cl)ncnc2N1
InChIInChI=1S/C7H6ClN3O/c8-6-4-1-2-5(12)11-7(4)10-3-9-6/h3H,1-2H2,(H,9,10,11,12)
InChIKeyZGSVPRBKVXSXJA-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.01
Rot. Bonds

About 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59421449) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID59421449
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2c(Cl)ncnc2N1
InChIInChI=1S/C7H6ClN3O/c8-6-4-1-2-5(12)11-7(4)10-3-9-6/h3H,1-2H2,(H,9,10,11,12)
InChIKeyZGSVPRBKVXSXJA-UHFFFAOYSA-N
XLogP1.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 59421449) is 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CCc2c(Cl)ncnc2N1.
What is the InChIKey of 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZGSVPRBKVXSXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c8-6-4-1-2-5(12)11-7(4)10-3-9-6/h3H,1-2H2,(H,9,10,11,12).
What are the key properties of 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 183.60 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59421449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).