5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one

C12H8FN3O2 — CID 170782647

IUPAC5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccn(-c3ccc(O)c(F)c3)c12
InChIInChI=1S/C12H8FN3O2/c13-8-5-7(1-2-10(8)17)16-4-3-9-11(16)12(18)15-6-14-9/h1-6,17H,(H,14,15,18)
InChIKeyFHEPDPFCFLCCSM-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.56
Rot. Bonds1

About 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one

5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 170782647) has the molecular formula C12H8FN3O2 and a molecular weight of 245.21 g/mol. Its IUPAC name is 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID170782647
Molecular FormulaC12H8FN3O2
Molecular Weight245.21 g/mol
Exact Mass245.06
IUPAC Name5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccn(-c3ccc(O)c(F)c3)c12
InChIInChI=1S/C12H8FN3O2/c13-8-5-7(1-2-10(8)17)16-4-3-9-11(16)12(18)15-6-14-9/h1-6,17H,(H,14,15,18)
InChIKeyFHEPDPFCFLCCSM-UHFFFAOYSA-N
XLogP1.56
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrrolo[3,2-d]pyrimidine-5-carbaldehyde
CID 67453055
3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylsulfanyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 70865206
4-[[3-(4-hydroxyphenyl)-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)butanamide
CID 70865452
2-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 90728020
N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64780116
1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide
CID 64780126
N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
CID 64780134
N-(3-fluoro-4-hydroxyphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 64780503
N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64780693
N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrrole-2-carboxamide
CID 64781446
1-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide
CID 64781829
1-ethyl-N-(3-fluoro-4-hydroxyphenyl)-4-nitropyrrole-2-carboxamide
CID 64782389

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 170782647) is 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2ccn(-c3ccc(O)c(F)c3)c12.
What is the InChIKey of 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is FHEPDPFCFLCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2/c13-8-5-7(1-2-10(8)17)16-4-3-9-11(16)12(18)15-6-14-9/h1-6,17H,(H,14,15,18).
What are the key properties of 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 245.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-hydroxyphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 170782647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).