8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one

C7H4FN3O — CID 135394106

IUPAC8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESO=c1ncc2cncc(F)c2[nH]1
InChIInChI=1S/C7H4FN3O/c8-5-3-9-1-4-2-10-7(12)11-6(4)5/h1-3H,(H,10,11,12)
InChIKeyIJKUTZMKGYCLFG-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.46
Rot. Bonds

About 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one

8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 135394106) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID135394106
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESO=c1ncc2cncc(F)c2[nH]1
InChIInChI=1S/C7H4FN3O/c8-5-3-9-1-4-2-10-7(12)11-6(4)5/h1-3H,(H,10,11,12)
InChIKeyIJKUTZMKGYCLFG-UHFFFAOYSA-N
XLogP0.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Urea, 4-pyridinyl-
CID 202767
N-(2,4-difluorophenyl)-N'-(3-pyridinylmethyl)urea
CID 970259
1-(2-Fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 901030
1-(3-Fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 6464858
7-Fluoro-1,2-dihydro-1,6-naphthyridin-2-one
CID 21073919
1-(4-Fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4677611
3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 18321415
Dihydropyrido[4,3-d]pyrimidine
CID 19831855
Pyrido[4,3-d]pyrimidin-2-one
CID 22460884
3-(3-Fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 75522482
1-[(2,6-Difluorophenyl)methyl]-3-pyridin-4-ylurea
CID 17838088
1-Pyridin-4-yl-3-[(2,4,6-trifluorophenyl)methyl]urea
CID 17838223

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one (CID 135394106) is 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one is O=c1ncc2cncc(F)c2[nH]1.
What is the InChIKey of 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is IJKUTZMKGYCLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-5-3-9-1-4-2-10-7(12)11-6(4)5/h1-3H,(H,10,11,12).
What are the key properties of 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one?
8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 165.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 135394106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).