methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate

C12H9FN2O3 — CID 114213821

IUPACmethyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1Oc1ccccc1F
InChIInChI=1S/C12H9FN2O3/c1-17-12(16)8-6-14-7-15-11(8)18-10-5-3-2-4-9(10)13/h2-7H,1H3
InChIKeyBDOMPUWGFVHRRD-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.19
Rot. Bonds3

About methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate

methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate (PubChem CID 114213821) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate
PubChem CID114213821
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Namemethyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1Oc1ccccc1F
InChIInChI=1S/C12H9FN2O3/c1-17-12(16)8-6-14-7-15-11(8)18-10-5-3-2-4-9(10)13/h2-7H,1H3
InChIKeyBDOMPUWGFVHRRD-UHFFFAOYSA-N
XLogP2.19
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluorophenoxy)pyrimidin-5-amine
CID 79917585
methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate
CID 141407596
methyl 5-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxylate
CID 163390834
methyl 4-methylsulfanylpyrimidine-5-carboxylate
CID 130484620
methyl 4-[(4-bromophenyl)methoxy]pyrimidine-5-carboxylate
CID 114213931
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate
CID 161326129
methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate
CID 114214335
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
4-[2-(4-methylpiperazin-1-yl)phenoxy]pyrimidine-5-carboxylic acid
CID 175237939

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate (CID 114213821) is methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate is COC(=O)c1cncnc1Oc1ccccc1F.
What is the InChIKey of methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate?
The InChIKey is BDOMPUWGFVHRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-17-12(16)8-6-14-7-15-11(8)18-10-5-3-2-4-9(10)13/h2-7H,1H3.
What are the key properties of methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate?
methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate has a molecular weight of 248.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate is sourced from PubChem (CID 114213821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).