methyl 5-fluoropyrimidine-4-carboxylate

C6H5FN2O2 — CID 130850525

IUPACmethyl 5-fluoropyrimidine-4-carboxylate
SMILESCOC(=O)c1ncncc1F
InChIInChI=1S/C6H5FN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3
InChIKeyLFWFFPMDPCNCNF-UHFFFAOYSA-N
MW156.12 g/mol
LogP0.40
Rot. Bonds1

About methyl 5-fluoropyrimidine-4-carboxylate

methyl 5-fluoropyrimidine-4-carboxylate (PubChem CID 130850525) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is methyl 5-fluoropyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoropyrimidine-4-carboxylate
PubChem CID130850525
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Namemethyl 5-fluoropyrimidine-4-carboxylate
SMILESCOC(=O)c1ncncc1F
InChIInChI=1S/C6H5FN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3
InChIKeyLFWFFPMDPCNCNF-UHFFFAOYSA-N
XLogP0.40
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoropyrimidine-4-carboxylate?
The IUPAC name of methyl 5-fluoropyrimidine-4-carboxylate (CID 130850525) is methyl 5-fluoropyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-fluoropyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-fluoropyrimidine-4-carboxylate is COC(=O)c1ncncc1F.
What is the InChIKey of methyl 5-fluoropyrimidine-4-carboxylate?
The InChIKey is LFWFFPMDPCNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3.
What are the key properties of methyl 5-fluoropyrimidine-4-carboxylate?
methyl 5-fluoropyrimidine-4-carboxylate has a molecular weight of 156.12 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoropyrimidine-4-carboxylate is sourced from PubChem (CID 130850525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).