CID 156804470

C10H13B2FN2O5 — CID 156804470

IUPAC—
SMILESCO.[B]C([B])(O)C1CCC(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C9H9B2FN2O4.CH4O/c10-9(11,17)5-1-2-6(18-5)14-3-4(12)7(15)13-8(14)16;1-2/h3,5-6,17H,1-2H2,(H,13,15,16);2H,1H3
InChIKeyTWUGBRZYAJKVFN-UHFFFAOYSA-N
MW281.85 g/mol
LogP-2.06
Rot. Bonds2

About CID 156804470

CID 156804470 (PubChem CID 156804470) has the molecular formula C10H13B2FN2O5 and a molecular weight of 281.85 g/mol.

Molecular Properties

Compound NameCID 156804470
PubChem CID156804470
Molecular FormulaC10H13B2FN2O5
Molecular Weight281.85 g/mol
Exact Mass282.10
IUPAC Name—
SMILESCO.[B]C([B])(O)C1CCC(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C9H9B2FN2O4.CH4O/c10-9(11,17)5-1-2-6(18-5)14-3-4(12)7(15)13-8(14)16;1-2/h3,5-6,17H,1-2H2,(H,13,15,16);2H,1H3
InChIKeyTWUGBRZYAJKVFN-UHFFFAOYSA-N
XLogP-2.06
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 156804470 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
CID 156804258
CID 156804258
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol
CID 171528817
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
CID 171528845
CID 171528845
5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
CID 162705739
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 153342279
5-fluoro-1-[3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione
CID 101097973
1-[(1S,3S,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-fluoropyrimidine-2,4-dione
CID 10799340
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite
CID 139341090
(5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 70610848
2-oxo-4-sulfanylidene-1-[5-(trihydroxymethyl)oxolan-2-yl]pyrimidine-5-carbaldehyde
CID 171529054

Frequently Asked Questions

What is the IUPAC name of CID 156804470?
The IUPAC name of CID 156804470 (CID 156804470) is not available.
What is the SMILES notation for CID 156804470?
The canonical SMILES for CID 156804470 is CO.[B]C([B])(O)C1CCC(n2cc(F)c(=O)[nH]c2=O)O1.
What is the InChIKey of CID 156804470?
The InChIKey is TWUGBRZYAJKVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9B2FN2O4.CH4O/c10-9(11,17)5-1-2-6(18-5)14-3-4(12)7(15)13-8(14)16;1-2/h3,5-6,17H,1-2H2,(H,13,15,16);2H,1H3.
What are the key properties of CID 156804470?
CID 156804470 has a molecular weight of 281.85 g/mol, XLogP of -2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156804470 is sourced from PubChem (CID 156804470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).