fluoromethyl pyrimidine-5-carboxylate

C6H5FN2O2 — CID 151471551

IUPACfluoromethyl pyrimidine-5-carboxylate
SMILESO=C(OCF)c1cncnc1
InChIInChI=1S/C6H5FN2O2/c7-3-11-6(10)5-1-8-4-9-2-5/h1-2,4H,3H2
InChIKeyPKOQOIKEOVWZSP-UHFFFAOYSA-N
MW156.12 g/mol
LogP0.56
Rot. Bonds2

About fluoromethyl pyrimidine-5-carboxylate

fluoromethyl pyrimidine-5-carboxylate (PubChem CID 151471551) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is fluoromethyl pyrimidine-5-carboxylate.

Molecular Properties

Compound Namefluoromethyl pyrimidine-5-carboxylate
PubChem CID151471551
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Namefluoromethyl pyrimidine-5-carboxylate
SMILESO=C(OCF)c1cncnc1
InChIInChI=1S/C6H5FN2O2/c7-3-11-6(10)5-1-8-4-9-2-5/h1-2,4H,3H2
InChIKeyPKOQOIKEOVWZSP-UHFFFAOYSA-N
XLogP0.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl pyrimidine-5-carboxylate?
The IUPAC name of fluoromethyl pyrimidine-5-carboxylate (CID 151471551) is fluoromethyl pyrimidine-5-carboxylate.
What is the SMILES notation for fluoromethyl pyrimidine-5-carboxylate?
The canonical SMILES for fluoromethyl pyrimidine-5-carboxylate is O=C(OCF)c1cncnc1.
What is the InChIKey of fluoromethyl pyrimidine-5-carboxylate?
The InChIKey is PKOQOIKEOVWZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c7-3-11-6(10)5-1-8-4-9-2-5/h1-2,4H,3H2.
What are the key properties of fluoromethyl pyrimidine-5-carboxylate?
fluoromethyl pyrimidine-5-carboxylate has a molecular weight of 156.12 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl pyrimidine-5-carboxylate is sourced from PubChem (CID 151471551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).