methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate

C11H8FN3O2 — CID 44633265

IUPACmethyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(F)c2)ncn1
InChIInChI=1S/C11H8FN3O2/c1-17-11(16)10-3-9(14-6-15-10)7-2-8(12)5-13-4-7/h2-6H,1H3
InChIKeyQZELDVXQCJGTLH-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.46
Rot. Bonds2

About methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate

methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate (PubChem CID 44633265) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
PubChem CID44633265
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Namemethyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(F)c2)ncn1
InChIInChI=1S/C11H8FN3O2/c1-17-11(16)10-3-9(14-6-15-10)7-2-8(12)5-13-4-7/h2-6H,1H3
InChIKeyQZELDVXQCJGTLH-UHFFFAOYSA-N
XLogP1.46
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate (CID 44633265) is methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate is COC(=O)c1cc(-c2cncc(F)c2)ncn1.
What is the InChIKey of methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate?
The InChIKey is QZELDVXQCJGTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c1-17-11(16)10-3-9(14-6-15-10)7-2-8(12)5-13-4-7/h2-6H,1H3.
What are the key properties of methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate?
methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate has a molecular weight of 233.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 44633265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).