2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid

C12H11N3O3 — CID 71093777

IUPAC2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid
SMILESCCOc1ccc(-c2ncc(C(=O)O)cn2)cn1
InChIInChI=1S/C12H11N3O3/c1-2-18-10-4-3-8(5-13-10)11-14-6-9(7-15-11)12(16)17/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRQGFMOGJRXXPSP-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.64
Rot. Bonds4

About 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid

2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid (PubChem CID 71093777) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid
PubChem CID71093777
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid
SMILESCCOc1ccc(-c2ncc(C(=O)O)cn2)cn1
InChIInChI=1S/C12H11N3O3/c1-2-18-10-4-3-8(5-13-10)11-14-6-9(7-15-11)12(16)17/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRQGFMOGJRXXPSP-UHFFFAOYSA-N
XLogP1.64
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butoxyphenyl)pyrimidine-5-carboxylic acid
CID 14765882
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)-N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 86686159
2-(4-hydroxyphenyl)pyrimidine-5-carboxylic acid
CID 135574114
2-(4-hexylphenyl)pyrimidine-5-carboxylic acid
CID 21388858
2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol
CID 19389361
(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid
CID 67696229
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
5-[4-(chloromethyl)phenyl]-2-ethoxypyridine
CID 67173780
6-(3-methylbutoxy)pyridine-3-carboxylic acid
CID 22219927
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid (CID 71093777) is 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid is CCOc1ccc(-c2ncc(C(=O)O)cn2)cn1.
What is the InChIKey of 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid?
The InChIKey is RQGFMOGJRXXPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-18-10-4-3-8(5-13-10)11-14-6-9(7-15-11)12(16)17/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid?
2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 71093777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).