5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid

C14H11N3O2 — CID 70713119

IUPAC5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid
SMILESCn1ccc2c(-c3cncc(C(=O)O)c3)ccnc21
InChIInChI=1S/C14H11N3O2/c1-17-5-3-12-11(2-4-16-13(12)17)9-6-10(14(18)19)8-15-7-9/h2-8H,1H3,(H,18,19)
InChIKeySACKAJXMMCXNQH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.33
Rot. Bonds2

About 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid

5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid (PubChem CID 70713119) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid
PubChem CID70713119
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid
SMILESCn1ccc2c(-c3cncc(C(=O)O)c3)ccnc21
InChIInChI=1S/C14H11N3O2/c1-17-5-3-12-11(2-4-16-13(12)17)9-6-10(14(18)19)8-15-7-9/h2-8H,1H3,(H,18,19)
InChIKeySACKAJXMMCXNQH-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-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 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid (CID 70713119) is 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid is Cn1ccc2c(-c3cncc(C(=O)O)c3)ccnc21.
What is the InChIKey of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is SACKAJXMMCXNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-5-3-12-11(2-4-16-13(12)17)9-6-10(14(18)19)8-15-7-9/h2-8H,1H3,(H,18,19).
What are the key properties of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid?
5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70713119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).