2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione

C7H8ClFN2O4 — CID 174524151

IUPAC2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione
SMILESCC1OC1(O)Cl.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O2.C3H5ClO2/c5-2-1-6-4(9)7-3(2)8;1-2-3(4,5)6-2/h1H,(H2,6,7,8,9);2,5H,1H3
InChIKeySAOUYQLXTLRYNB-UHFFFAOYSA-N
MW238.60 g/mol
LogP-0.51
Rot. Bonds

About 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione

2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 174524151) has the molecular formula C7H8ClFN2O4 and a molecular weight of 238.60 g/mol. Its IUPAC name is 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID174524151
Molecular FormulaC7H8ClFN2O4
Molecular Weight238.60 g/mol
Exact Mass238.02
IUPAC Name2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione
SMILESCC1OC1(O)Cl.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O2.C3H5ClO2/c5-2-1-6-4(9)7-3(2)8;1-2-3(4,5)6-2/h1H,(H2,6,7,8,9);2,5H,1H3
InChIKeySAOUYQLXTLRYNB-UHFFFAOYSA-N
XLogP-0.51
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate
CID 174923664
5-fluoro-1H-pyrimidine-2,4-dione;furan
CID 67100299
5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine
CID 159111962
5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide
CID 173137049
5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene
CID 118491878
ethane;5-hydroxy-1H-pyrimidine-2,4-dione
CID 145004805
ethyl 2-cyanoprop-2-enoate;5-fluoro-1H-pyrimidine-2,4-dione
CID 174679785
5-chloro-1H-pyrimidine-2,4-dione
CID 15758
5-hydroxy-1H-pyrimidine-2,4-dione;hydrate
CID 175729684
5-(2-chloroacetyl)-1H-pyrimidine-2,4-dione
CID 45080865
4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
CID 173010993
CID 172781007
CID 172781007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione (CID 174524151) is 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione is CC1OC1(O)Cl.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is SAOUYQLXTLRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2.C3H5ClO2/c5-2-1-6-4(9)7-3(2)8;1-2-3(4,5)6-2/h1H,(H2,6,7,8,9);2,5H,1H3.
What are the key properties of 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione?
2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 238.60 g/mol, XLogP of -0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174524151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).