1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid

C12H10N2O3 — CID 86692514

IUPAC1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid
SMILESCC(=O)c1ccc(-n2ccc(C(=O)O)c2)nc1
InChIInChI=1S/C12H10N2O3/c1-8(15)9-2-3-11(13-6-9)14-5-4-10(7-14)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyWTGMHMKSZLKGIJ-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.77
Rot. Bonds3

About 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid

1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid (PubChem CID 86692514) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid
PubChem CID86692514
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid
SMILESCC(=O)c1ccc(-n2ccc(C(=O)O)c2)nc1
InChIInChI=1S/C12H10N2O3/c1-8(15)9-2-3-11(13-6-9)14-5-4-10(7-14)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyWTGMHMKSZLKGIJ-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid (CID 86692514) is 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid is CC(=O)c1ccc(-n2ccc(C(=O)O)c2)nc1.
What is the InChIKey of 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid?
The InChIKey is WTGMHMKSZLKGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8(15)9-2-3-11(13-6-9)14-5-4-10(7-14)12(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid?
1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 86692514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).