3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C11H6Cl2N4 — CID 118861407

IUPAC3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ncc(Cl)c(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C11H6Cl2N4/c12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15)
InChIKeySTWMVHZNUMMHCC-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.33
Rot. Bonds1

About 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118861407) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118861407
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ncc(Cl)c(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C11H6Cl2N4/c12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15)
InChIKeySTWMVHZNUMMHCC-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 118861407) is 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is Clc1ncc(Cl)c(-c2c[nH]c3ncccc23)n1.
What is the InChIKey of 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is STWMVHZNUMMHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-8-5-16-11(13)17-9(8)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15).
What are the key properties of 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 265.10 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118861407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).