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

C13H11N3 — CID 58087002

IUPAC2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c2ncccc2c1-c1ccncc1
InChIInChI=1S/C13H11N3/c1-9-12(10-4-7-14-8-5-10)11-3-2-6-15-13(11)16-9/h2-8H,1H3,(H,15,16)
InChIKeyLPQAMLWLPHHSGW-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.93
Rot. Bonds1

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

2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58087002) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58087002
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c2ncccc2c1-c1ccncc1
InChIInChI=1S/C13H11N3/c1-9-12(10-4-7-14-8-5-10)11-3-2-6-15-13(11)16-9/h2-8H,1H3,(H,15,16)
InChIKeyLPQAMLWLPHHSGW-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 58087002) is 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is Cc1[nH]c2ncccc2c1-c1ccncc1.
What is the InChIKey of 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LPQAMLWLPHHSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-12(10-4-7-14-8-5-10)11-3-2-6-15-13(11)16-9/h2-8H,1H3,(H,15,16).
What are the key properties of 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 209.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58087002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).