2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine

C12H10N4 — CID 175716127

IUPAC2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc2nc(-c3ncccn3)ccc2[nH]1
InChIInChI=1S/C12H10N4/c1-8-7-11-9(15-8)3-4-10(16-11)12-13-5-2-6-14-12/h2-7,15H,1H3
InChIKeyZEGABLBNXPGBEQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.33
Rot. Bonds1

About 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine

2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 175716127) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID175716127
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc2nc(-c3ncccn3)ccc2[nH]1
InChIInChI=1S/C12H10N4/c1-8-7-11-9(15-8)3-4-10(16-11)12-13-5-2-6-14-12/h2-7,15H,1H3
InChIKeyZEGABLBNXPGBEQ-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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Related Compounds

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Meiqx
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Glu-P 2
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Glu-P 1
CID 49971
2-(pyridin-3-yl)-1H-1,3-benzodiazole
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PF-4708671
CID 51371303
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-(2'-Pyridyl)benzimidazole
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Ageladine A
CID 10089677
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
6-Nitro-2-(2-pyridyl)benzimidazole
CID 100489
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 175716127) is 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine is Cc1cc2nc(-c3ncccn3)ccc2[nH]1.
What is the InChIKey of 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ZEGABLBNXPGBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-7-11-9(15-8)3-4-10(16-11)12-13-5-2-6-14-12/h2-7,15H,1H3.
What are the key properties of 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine?
2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-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 2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 175716127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).