ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one

C10H11FN2O2 — CID 171490674

IUPACethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCC.O=c1cc(O)nc2ccc(F)cn12
InChIInChI=1S/C8H5FN2O2.C2H6/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5;1-2/h1-4,12H;1-2H3
InChIKeyNUUHGMXRFXEKGW-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.57
Rot. Bonds

About ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one

ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 171490674) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID171490674
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Nameethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCC.O=c1cc(O)nc2ccc(F)cn12
InChIInChI=1S/C8H5FN2O2.C2H6/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5;1-2/h1-4,12H;1-2H3
InChIKeyNUUHGMXRFXEKGW-UHFFFAOYSA-N
XLogP1.57
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135448456
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
3-Ethyl-4-hydroxypyrido[1,2-a]pyrimidin-2-one
CID 135419040
9-Hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 796646
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
4-hydroxy-3-(2-methylprop-1-en-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 135403901
2-methoxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 638805
7-bromo-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135517940
7-fluoro-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 136629818
2-hydroxy-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135426874
9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 11819345

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 171490674) is ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one is CC.O=c1cc(O)nc2ccc(F)cn12.
What is the InChIKey of ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NUUHGMXRFXEKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2.C2H6/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5;1-2/h1-4,12H;1-2H3.
What are the key properties of ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 210.21 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 171490674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).