6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid

C11H10N2O4 — CID 146160536

IUPAC6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCCOC(=O)c1ccc2ncc(C(=O)O)cn12
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)8-3-4-9-12-5-7(10(14)15)6-13(8)9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLKUBBZBZYJKUDK-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.21
Rot. Bonds3

About 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid

6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 146160536) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID146160536
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCCOC(=O)c1ccc2ncc(C(=O)O)cn12
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)8-3-4-9-12-5-7(10(14)15)6-13(8)9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLKUBBZBZYJKUDK-UHFFFAOYSA-N
XLogP1.21
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579
5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 155820424
3-ethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 62651900
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 149302059
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
6-[(4-ethoxycarbonylpyrazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 81497892
ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 145001485
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103

Frequently Asked Questions

What is the IUPAC name of 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid (CID 146160536) is 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid is CCOC(=O)c1ccc2ncc(C(=O)O)cn12.
What is the InChIKey of 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is LKUBBZBZYJKUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-17-11(16)8-3-4-9-12-5-7(10(14)15)6-13(8)9/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid?
6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146160536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).