ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate

C7H5Cl2FN2O2 — CID 88538797

IUPACethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C7H5Cl2FN2O2/c1-2-14-6(13)4-3(10)5(8)12-7(9)11-4/h2H2,1H3
InChIKeyODLKLHFBCYZMKF-UHFFFAOYSA-N
MW239.03 g/mol
LogP2.10
Rot. Bonds2

About ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate

ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate (PubChem CID 88538797) has the molecular formula C7H5Cl2FN2O2 and a molecular weight of 239.03 g/mol. Its IUPAC name is ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate
PubChem CID88538797
Molecular FormulaC7H5Cl2FN2O2
Molecular Weight239.03 g/mol
Exact Mass237.97
IUPAC Nameethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C7H5Cl2FN2O2/c1-2-14-6(13)4-3(10)5(8)12-7(9)11-4/h2H2,1H3
InChIKeyODLKLHFBCYZMKF-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate?
The IUPAC name of ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate (CID 88538797) is ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate is CCOC(=O)c1nc(Cl)nc(Cl)c1F.
What is the InChIKey of ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate?
The InChIKey is ODLKLHFBCYZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FN2O2/c1-2-14-6(13)4-3(10)5(8)12-7(9)11-4/h2H2,1H3.
What are the key properties of ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate?
ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate has a molecular weight of 239.03 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate is sourced from PubChem (CID 88538797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).