5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one

C12H7FN4O — CID 137128057

IUPAC5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(-c2cc3cccnc3cn2)c1F
InChIInChI=1S/C12H7FN4O/c13-10-11(16-6-17-12(10)18)8-4-7-2-1-3-14-9(7)5-15-8/h1-6H,(H,16,17,18)
InChIKeyFFBVBZPIQJQLEF-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.52
Rot. Bonds1

About 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one

5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one (PubChem CID 137128057) has the molecular formula C12H7FN4O and a molecular weight of 242.21 g/mol. Its IUPAC name is 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one
PubChem CID137128057
Molecular FormulaC12H7FN4O
Molecular Weight242.21 g/mol
Exact Mass242.06
IUPAC Name5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(-c2cc3cccnc3cn2)c1F
InChIInChI=1S/C12H7FN4O/c13-10-11(16-6-17-12(10)18)8-4-7-2-1-3-14-9(7)5-15-8/h1-6H,(H,16,17,18)
InChIKeyFFBVBZPIQJQLEF-UHFFFAOYSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-difluoro-4-pyridinyl)-1,7-naphthyridine
CID 126751918
5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one
CID 136769605
6-(3-methyl-5-propan-2-ylphenyl)-1,7-naphthyridine
CID 153463563
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 136929412
N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608268
1H-pyrido[3,2-g]quinazoline-2,4-dione
CID 142642120
ethane;1,7-naphthyridin-6-amine
CID 142123467
2H-pyrido[3,2-f]quinazolin-1-one
CID 135776062
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623
7-fluoro-1,6-naphthyridine
CID 58547450
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135456619

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one (CID 137128057) is 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one is O=c1[nH]cnc(-c2cc3cccnc3cn2)c1F.
What is the InChIKey of 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The InChIKey is FFBVBZPIQJQLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O/c13-10-11(16-6-17-12(10)18)8-4-7-2-1-3-14-9(7)5-15-8/h1-6H,(H,16,17,18).
What are the key properties of 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one?
5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one has a molecular weight of 242.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1,7-naphthyridin-6-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137128057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).