4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid

C11H10N2O3 — CID 142280013

IUPAC4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid
SMILESCOc1cccnc1-c1c[nH]cc1C(=O)O
InChIInChI=1S/C11H10N2O3/c1-16-9-3-2-4-13-10(9)7-5-12-6-8(7)11(14)15/h2-6,12H,1H3,(H,14,15)
InChIKeyXJOXKGPJHNMQGC-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.78
Rot. Bonds3

About 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid

4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 142280013) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid
PubChem CID142280013
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid
SMILESCOc1cccnc1-c1c[nH]cc1C(=O)O
InChIInChI=1S/C11H10N2O3/c1-16-9-3-2-4-13-10(9)7-5-12-6-8(7)11(14)15/h2-6,12H,1H3,(H,14,15)
InChIKeyXJOXKGPJHNMQGC-UHFFFAOYSA-N
XLogP1.78
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid (CID 142280013) is 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid is COc1cccnc1-c1c[nH]cc1C(=O)O.
What is the InChIKey of 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is XJOXKGPJHNMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-9-3-2-4-13-10(9)7-5-12-6-8(7)11(14)15/h2-6,12H,1H3,(H,14,15).
What are the key properties of 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid?
4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 142280013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).