3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid

C10H8N2O2 — CID 67047681

IUPAC3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1ccccn1
InChIInChI=1S/C10H8N2O2/c13-10(14)9-7(4-6-12-9)8-3-1-2-5-11-8/h1-6,12H,(H,13,14)
InChIKeyOZUYXCURHYELBF-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.77
Rot. Bonds2

About 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid

3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 67047681) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID67047681
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1ccccn1
InChIInChI=1S/C10H8N2O2/c13-10(14)9-7(4-6-12-9)8-3-1-2-5-11-8/h1-6,12H,(H,13,14)
InChIKeyOZUYXCURHYELBF-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid (CID 67047681) is 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]ccc1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is OZUYXCURHYELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)9-7(4-6-12-9)8-3-1-2-5-11-8/h1-6,12H,(H,13,14).
What are the key properties of 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid?
3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 67047681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).