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

C12H10N4 — CID 140781014

IUPAC5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ncc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C12H10N4/c1-8-14-6-11(7-15-8)10-4-9-2-3-13-12(9)16-5-10/h2-7H,1H3,(H,13,16)
InChIKeyAFQFXIZWRNBKHS-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.33
Rot. Bonds1

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

5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 140781014) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID140781014
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ncc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C12H10N4/c1-8-14-6-11(7-15-8)10-4-9-2-3-13-12(9)16-5-10/h2-7H,1H3,(H,13,16)
InChIKeyAFQFXIZWRNBKHS-UHFFFAOYSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 140781014) is 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1ncc(-c2cnc3[nH]ccc3c2)cn1.
What is the InChIKey of 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AFQFXIZWRNBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-14-6-11(7-15-8)10-4-9-2-3-13-12(9)16-5-10/h2-7H,1H3,(H,13,16).
What are the key properties of 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 210.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 140781014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).