2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C13H11BrClN3O — CID 136920376

IUPAC2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)c(Br)c2)nc2c1CCCN2
InChIInChI=1S/C13H11BrClN3O/c14-9-6-7(3-4-10(9)15)11-17-12-8(13(19)18-11)2-1-5-16-12/h3-4,6H,1-2,5H2,(H2,16,17,18,19)
InChIKeyICHDWGRTJJEDKK-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.21
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136920376) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136920376
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)c(Br)c2)nc2c1CCCN2
InChIInChI=1S/C13H11BrClN3O/c14-9-6-7(3-4-10(9)15)11-17-12-8(13(19)18-11)2-1-5-16-12/h3-4,6H,1-2,5H2,(H2,16,17,18,19)
InChIKeyICHDWGRTJJEDKK-UHFFFAOYSA-N
XLogP3.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(3-bromo-4-chlorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136924208
2-(4-bromo-2-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136727381
2-(3-bromo-4-chlorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729773
4-(3,4-dichlorophenyl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 4263937
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 115565726
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 115565725
2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137012915
8-(3-bromo-4-chlorophenyl)-3-methyl-7H-purine-2,6-dione
CID 103917937
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
CID 136729711
4-(3,4-dichlorophenyl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione
CID 5124169
[2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 115568369
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136920376) is 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(Cl)c(Br)c2)nc2c1CCCN2.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ICHDWGRTJJEDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-9-6-7(3-4-10(9)15)11-17-12-8(13(19)18-11)2-1-5-16-12/h3-4,6H,1-2,5H2,(H2,16,17,18,19).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 340.61 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136920376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).