CID 176801475

C9H10FN2O4Se — CID 176801475

IUPAC—
SMILESO=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c([Se])n1
InChIInChI=1S/C9H10FN2O4Se/c10-6-7(15)4(3-13)16-8(6)12-2-1-5(14)11-9(12)17/h1-2,4,6-8,13,15H,3H2/t4-,6+,7?,8-/m1/s1
InChIKeyYCGTZFPAGHZNFS-JDNPWWSISA-N
MW308.15 g/mol
LogP-2.37
Rot. Bonds2

About CID 176801475

CID 176801475 (PubChem CID 176801475) has the molecular formula C9H10FN2O4Se and a molecular weight of 308.15 g/mol.

Molecular Properties

Compound NameCID 176801475
PubChem CID176801475
Molecular FormulaC9H10FN2O4Se
Molecular Weight308.15 g/mol
Exact Mass308.98
IUPAC Name—
SMILESO=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c([Se])n1
InChIInChI=1S/C9H10FN2O4Se/c10-6-7(15)4(3-13)16-8(6)12-2-1-5(14)11-9(12)17/h1-2,4,6-8,13,15H,3H2/t4-,6+,7?,8-/m1/s1
InChIKeyYCGTZFPAGHZNFS-JDNPWWSISA-N
XLogP-2.37
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 5-2.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 122450152
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 171314789
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 66944209
4-amino-5-fluoro-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 23317943
CID 140732651
CID 140732651
2-amino-7-[(2S,3S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135506530
2-amino-7-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683644
(2R,3R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
CID 90689612
1-[(2R,4S,5S,6R)-3,4-difluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-4-(propan-2-ylamino)pyrimidin-2-one
CID 174025289

Frequently Asked Questions

What is the IUPAC name of CID 176801475?
The IUPAC name of CID 176801475 (CID 176801475) is not available.
What is the SMILES notation for CID 176801475?
The canonical SMILES for CID 176801475 is O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c([Se])n1.
What is the InChIKey of CID 176801475?
The InChIKey is YCGTZFPAGHZNFS-JDNPWWSISA-N. The full InChI is InChI=1S/C9H10FN2O4Se/c10-6-7(15)4(3-13)16-8(6)12-2-1-5(14)11-9(12)17/h1-2,4,6-8,13,15H,3H2/t4-,6+,7?,8-/m1/s1.
What are the key properties of CID 176801475?
CID 176801475 has a molecular weight of 308.15 g/mol, XLogP of -2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176801475 is sourced from PubChem (CID 176801475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).