pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

C8H6N2O2 — CID 45356733

IUPACpyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1ccc2ncccn12
InChIInChI=1S/C8H6N2O2/c11-8(12)6-2-3-7-9-4-1-5-10(6)7/h1-5H,(H,11,12)
InChIKeyWYHFPYZZMNSIEW-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.03
Rot. Bonds1

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

pyrrolo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 45356733) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is pyrrolo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Namepyrrolo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID45356733
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Namepyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1ccc2ncccn12
InChIInChI=1S/C8H6N2O2/c11-8(12)6-2-3-7-9-4-1-5-10(6)7/h1-5H,(H,11,12)
InChIKeyWYHFPYZZMNSIEW-UHFFFAOYSA-N
XLogP1.03
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of pyrrolo[1,2-a]pyrimidine-6-carboxylic acid (CID 45356733) is pyrrolo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for pyrrolo[1,2-a]pyrimidine-6-carboxylic acid is O=C(O)c1ccc2ncccn12.
What is the InChIKey of pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is WYHFPYZZMNSIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8(12)6-2-3-7-9-4-1-5-10(6)7/h1-5H,(H,11,12).
What are the key properties of pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
pyrrolo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 162.15 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 45356733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).