4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid

C14H13FN2O3 — CID 95478845

IUPAC4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCCOc1ccc(-c2ncnc(C)c2C(=O)O)cc1F
InChIInChI=1S/C14H13FN2O3/c1-3-20-11-5-4-9(6-10(11)15)13-12(14(18)19)8(2)16-7-17-13/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyJRAVPLUNMDKWQA-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.69
Rot. Bonds4

About 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid

4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 95478845) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID95478845
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCCOc1ccc(-c2ncnc(C)c2C(=O)O)cc1F
InChIInChI=1S/C14H13FN2O3/c1-3-20-11-5-4-9(6-10(11)15)13-12(14(18)19)8(2)16-7-17-13/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyJRAVPLUNMDKWQA-UHFFFAOYSA-N
XLogP2.69
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772
5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82486561
4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
4-amino-2-(4-ethoxy-3-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82303643
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid
CID 82303646
4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 143190556
1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine
CID 123987575
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid (CID 95478845) is 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid is CCOc1ccc(-c2ncnc(C)c2C(=O)O)cc1F.
What is the InChIKey of 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is JRAVPLUNMDKWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-3-20-11-5-4-9(6-10(11)15)13-12(14(18)19)8(2)16-7-17-13/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 95478845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).