1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C16H11BrF3N3O — CID 158542754

IUPAC1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCCc1nc(=O)n(-c2ccccc2Br)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11BrF3N3O/c1-2-11-9-7-8-13(16(18,19)20)22-14(9)23(15(24)21-11)12-6-4-3-5-10(12)17/h3-8H,2H2,1H3
InChIKeyHOSQDBKHVDQLCP-UHFFFAOYSA-N
MW398.18 g/mol
LogP4.12
Rot. Bonds2

About 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 158542754) has the molecular formula C16H11BrF3N3O and a molecular weight of 398.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID158542754
Molecular FormulaC16H11BrF3N3O
Molecular Weight398.18 g/mol
Exact Mass397.00
IUPAC Name1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCCc1nc(=O)n(-c2ccccc2Br)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11BrF3N3O/c1-2-11-9-7-8-13(16(18,19)20)22-14(9)23(15(24)21-11)12-6-4-3-5-10(12)17/h3-8H,2H2,1H3
InChIKeyHOSQDBKHVDQLCP-UHFFFAOYSA-N
XLogP4.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 950620
N-(5-bromo-6-methylpyridin-2-yl)-3-phenylpropanamide
CID 975977
4-(pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 150330776
1-(2-bromophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608284
4-Amino-1-phenyl-7-(trifluoromethyl)-hydropyridino[2,3-d]pyrimidin-2-one
CID 153608312
4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608569
4-amino-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608837
N-(2-Bromophenyl)-N'-[1-(6-methyl-4-trifluoromethylpyridin-2-yl)azetidin-3-yl]urea
CID 9910487
1-(2,6-Difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)pyridin-2-yl]urea
CID 19813663
3,7-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
CID 20227718
1-(2,6-Difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea
CID 21061445
1-(2,6-Difluorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea
CID 21354045

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 158542754) is 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CCc1nc(=O)n(-c2ccccc2Br)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is HOSQDBKHVDQLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N3O/c1-2-11-9-7-8-13(16(18,19)20)22-14(9)23(15(24)21-11)12-6-4-3-5-10(12)17/h3-8H,2H2,1H3.
What are the key properties of 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 398.18 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 158542754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).