5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

C14H7FN4O3 — CID 134133190

IUPAC5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O
InChIInChI=1S/C14H7FN4O3/c15-7-3-1-2-6(4-7)9-8(5-16)12(20)17-11-10(9)13(21)19-14(22)18-11/h1-4H,(H3,17,18,19,20,21,22)
InChIKeyOPSIIPHBXKTENR-UHFFFAOYSA-N
MW298.23 g/mol
LogP0.58
Rot. Bonds1

About 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 134133190) has the molecular formula C14H7FN4O3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID134133190
Molecular FormulaC14H7FN4O3
Molecular Weight298.23 g/mol
Exact Mass298.05
IUPAC Name5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O
InChIInChI=1S/C14H7FN4O3/c15-7-3-1-2-6(4-7)9-8(5-16)12(20)17-11-10(9)13(21)19-14(22)18-11/h1-4H,(H3,17,18,19,20,21,22)
InChIKeyOPSIIPHBXKTENR-UHFFFAOYSA-N
XLogP0.58
TPSA122.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-6-chloropyrimidine-2,4(1H,3H)-dione
CID 23648513
6-Chloro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648521
6-Fluoro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648527
5-(4-Bromophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 497025
7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-1,3-dihydro-5H-pyrano[2,3-d] pyrimidine-6-carbonitrile
CID 2828696
5-(3-Chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 11255489
7-amino-5-(3-chloro-4-fluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134132343
5-(3,4-Difluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134136354
5-(3-Chloro-4-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134142610
7-Amino-5-(3-fluorophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134143335
7-amino-5-(4-fluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134145910
7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134156014

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 134133190) is 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1c(-c2cccc(F)c2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O.
What is the InChIKey of 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is OPSIIPHBXKTENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN4O3/c15-7-3-1-2-6(4-7)9-8(5-16)12(20)17-11-10(9)13(21)19-14(22)18-11/h1-4H,(H3,17,18,19,20,21,22).
What are the key properties of 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 298.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 134133190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).