4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one

C15H10Cl2FN3O2 — CID 167088612

IUPAC4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1cccc(C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C15H10Cl2FN3O2/c1-7-4-3-5-10(23-2)11(7)21-14-8(12(16)20-15(21)22)6-9(18)13(17)19-14/h3-6H,1-2H3
InChIKeyLGLYDUIJEAEUMP-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.54
Rot. Bonds2

About 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one

4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 167088612) has the molecular formula C15H10Cl2FN3O2 and a molecular weight of 354.17 g/mol. Its IUPAC name is 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID167088612
Molecular FormulaC15H10Cl2FN3O2
Molecular Weight354.17 g/mol
Exact Mass353.01
IUPAC Name4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1cccc(C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C15H10Cl2FN3O2/c1-7-4-3-5-10(23-2)11(7)21-14-8(12(16)20-15(21)22)6-9(18)13(17)19-14/h3-6H,1-2H3
InChIKeyLGLYDUIJEAEUMP-UHFFFAOYSA-N
XLogP3.54
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
CID 156697785
4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
CID 156697793
tert-butyl (3S)-4-[7-chloro-1-(2,6-dimethylphenyl)-6-fluoro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 167088617
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155727100
7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 167088494
4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 135378722
7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 142482403
4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167080503
CID 163976320
CID 163976320
3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 54724185
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-(2,3,4,5-tetrafluoro-6-methoxyphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 169100164
4-[2-(3-fluorophenoxy)-6-methylphenyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one
CID 139887241

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one (CID 167088612) is 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one is COc1cccc(C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.
What is the InChIKey of 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is LGLYDUIJEAEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O2/c1-7-4-3-5-10(23-2)11(7)21-14-8(12(16)20-15(21)22)6-9(18)13(17)19-14/h3-6H,1-2H3.
What are the key properties of 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one?
4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 354.17 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 167088612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).