2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C15H10FN3O — CID 136721366

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ncccc12
InChIInChI=1S/C15H10FN3O/c16-11-6-3-10(4-7-11)5-8-13-18-14-12(15(20)19-13)2-1-9-17-14/h1-9H,(H,17,18,19,20)/b8-5+
InChIKeyHGFFKTXUZBSDNK-VMPITWQZSA-N
MW267.26 g/mol
LogP2.63
Rot. Bonds2

About 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one

2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136721366) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136721366
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ncccc12
InChIInChI=1S/C15H10FN3O/c16-11-6-3-10(4-7-11)5-8-13-18-14-12(15(20)19-13)2-1-9-17-14/h1-9H,(H,17,18,19,20)/b8-5+
InChIKeyHGFFKTXUZBSDNK-VMPITWQZSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137175854
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile
CID 137211979
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135517947
3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one
CID 11610472
2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135446762
2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899276
2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899274
2-[2-(4-fluorophenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 4313142
2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137160812
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136676302

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136721366) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ncccc12.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HGFFKTXUZBSDNK-VMPITWQZSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-11-6-3-10(4-7-11)5-8-13-18-14-12(15(20)19-13)2-1-9-17-14/h1-9H,(H,17,18,19,20)/b8-5+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 267.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136721366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).