5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione

C7H4FN3O2 — CID 166547715

IUPAC5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c(F)cncc2[nH]1
InChIInChI=1S/C7H4FN3O2/c8-3-1-9-2-4-5(3)6(12)11-7(13)10-4/h1-2H,(H2,10,11,12,13)
InChIKeyXVOIQJKGGNJPHL-UHFFFAOYSA-N
MW181.13 g/mol
LogP-0.25
Rot. Bonds

About 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione

5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 166547715) has the molecular formula C7H4FN3O2 and a molecular weight of 181.13 g/mol. Its IUPAC name is 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID166547715
Molecular FormulaC7H4FN3O2
Molecular Weight181.13 g/mol
Exact Mass181.03
IUPAC Name5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2c(F)cncc2[nH]1
InChIInChI=1S/C7H4FN3O2/c8-3-1-9-2-4-5(3)6(12)11-7(13)10-4/h1-2H,(H2,10,11,12,13)
InChIKeyXVOIQJKGGNJPHL-UHFFFAOYSA-N
XLogP-0.25
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-difluoro-1H-quinazoline-2,4-dione
CID 19604393
5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 167233064
1,3-dihydroimidazo[4,5-c]pyridin-2-one
CID 11686916
6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine
CID 59337538
6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole
CID 67165969
1,3-dihydroimidazo[4,5-c]pyridin-2-one;molecular hydrogen
CID 144839444
4,8-difluoro-3-hydroxy-1H-1,6-naphthyridin-2-one
CID 46211866
5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 166453206
4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one
CID 175928743
6-bromo-5-chloro-1H-quinazoline-2,4-dione
CID 19604402
4-hydroxy-10H-benzo[b][1,7]naphthyridin-5-one
CID 91356808
5,7-diphenyl-1H-quinazoline-2,4-dione
CID 53358877

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione (CID 166547715) is 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2c(F)cncc2[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is XVOIQJKGGNJPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O2/c8-3-1-9-2-4-5(3)6(12)11-7(13)10-4/h1-2H,(H2,10,11,12,13).
What are the key properties of 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 181.13 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166547715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).