5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C14H11N3O2 — CID 68898193

IUPAC5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCc1cnc2[nH]cc(C(=O)O)c2c1-c1ccncc1
InChIInChI=1S/C14H11N3O2/c1-8-6-16-13-12(10(7-17-13)14(18)19)11(8)9-2-4-15-5-3-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyCQNROOKZSOLGIQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.63
Rot. Bonds2

About 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 68898193) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID68898193
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCc1cnc2[nH]cc(C(=O)O)c2c1-c1ccncc1
InChIInChI=1S/C14H11N3O2/c1-8-6-16-13-12(10(7-17-13)14(18)19)11(8)9-2-4-15-5-3-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyCQNROOKZSOLGIQ-UHFFFAOYSA-N
XLogP2.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 68898193) is 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is Cc1cnc2[nH]cc(C(=O)O)c2c1-c1ccncc1.
What is the InChIKey of 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is CQNROOKZSOLGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-6-16-13-12(10(7-17-13)14(18)19)11(8)9-2-4-15-5-3-9/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 68898193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).