2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one

C14H8ClF2N3O — CID 142304240

IUPAC2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2F)c2nc(Cl)ncc12
InChIInChI=1S/C14H8ClF2N3O/c1-7-4-12(21)20(11-3-2-8(16)5-10(11)17)13-9(7)6-18-14(15)19-13/h2-6H,1H3
InChIKeyLMOJYDSFHGKTEZ-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.02
Rot. Bonds1

About 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one

2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 142304240) has the molecular formula C14H8ClF2N3O and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID142304240
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2F)c2nc(Cl)ncc12
InChIInChI=1S/C14H8ClF2N3O/c1-7-4-12(21)20(11-3-2-8(16)5-10(11)17)13-9(7)6-18-14(15)19-13/h2-6H,1H3
InChIKeyLMOJYDSFHGKTEZ-UHFFFAOYSA-N
XLogP3.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 142304240) is 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(-c2ccc(F)cc2F)c2nc(Cl)ncc12.
What is the InChIKey of 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LMOJYDSFHGKTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c1-7-4-12(21)20(11-3-2-8(16)5-10(11)17)13-9(7)6-18-14(15)19-13/h2-6H,1H3.
What are the key properties of 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 307.69 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(2,4-difluorophenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142304240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).