8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C9H8FN3O — CID 175774512

IUPAC8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cncnc2n1CCF
InChIInChI=1S/C9H8FN3O/c10-3-4-13-8(14)2-1-7-5-11-6-12-9(7)13/h1-2,5-6H,3-4H2
InChIKeyNGALPRQRVQZDKV-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.76
Rot. Bonds2

About 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one

8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175774512) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID175774512
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cncnc2n1CCF
InChIInChI=1S/C9H8FN3O/c10-3-4-13-8(14)2-1-7-5-11-6-12-9(7)13/h1-2,5-6H,3-4H2
InChIKeyNGALPRQRVQZDKV-UHFFFAOYSA-N
XLogP0.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one
CID 175774539
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 175780838
7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one
CID 156789811
8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 142161241
ethane;7-methylpyrrolo[2,3-d]pyrimidine
CID 155705341
8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one
CID 175774541
7-ethylpyrrolo[2,3-d]pyrimidine
CID 69299985
4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 91812676
1-hex-3-enyl-6-methyl-1,8-naphthyridin-2-one
CID 139602599
3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
CID 87497402
(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
CID 131524978
ethane;2-methylsulfonyl-8-[2-(1,2,4-triazol-1-ylsulfonyl)ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 164926304

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 175774512) is 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cncnc2n1CCF.
What is the InChIKey of 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NGALPRQRVQZDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-3-4-13-8(14)2-1-7-5-11-6-12-9(7)13/h1-2,5-6H,3-4H2.
What are the key properties of 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 193.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175774512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).