6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid

C14H13ClN2O3 — CID 163905465

IUPAC6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid
SMILESCCc1nc(C(=O)O)cc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C14H13ClN2O3/c1-3-13-16-10(7-11(17-13)14(18)19)8-4-5-12(20-2)9(15)6-8/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyXDOGZCVIRQLZDE-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.07
Rot. Bonds4

About 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid

6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid (PubChem CID 163905465) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid
PubChem CID163905465
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid
SMILESCCc1nc(C(=O)O)cc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C14H13ClN2O3/c1-3-13-16-10(7-11(17-13)14(18)19)8-4-5-12(20-2)9(15)6-8/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyXDOGZCVIRQLZDE-UHFFFAOYSA-N
XLogP3.07
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
CID 80935506
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
CID 125488706
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
3-(3-chloro-4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324952
3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82453435
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510457
6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
CID 83879725
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
CID 116857617

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid (CID 163905465) is 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid is CCc1nc(C(=O)O)cc(-c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid?
The InChIKey is XDOGZCVIRQLZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-3-13-16-10(7-11(17-13)14(18)19)8-4-5-12(20-2)9(15)6-8/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid?
6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 163905465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).