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

C11H14N2 — CID 122472434

IUPAC5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]ccc2c1C(C)C
InChIInChI=1S/C11H14N2/c1-7(2)10-8(3)6-13-11-9(10)4-5-12-11/h4-7H,1-3H3,(H,12,13)
InChIKeyFHLKSLYGKZXYNR-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.99
Rot. Bonds1

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

5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 122472434) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID122472434
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]ccc2c1C(C)C
InChIInChI=1S/C11H14N2/c1-7(2)10-8(3)6-13-11-9(10)4-5-12-11/h4-7H,1-3H3,(H,12,13)
InChIKeyFHLKSLYGKZXYNR-UHFFFAOYSA-N
XLogP2.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 122472434) is 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]ccc2c1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FHLKSLYGKZXYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7(2)10-8(3)6-13-11-9(10)4-5-12-11/h4-7H,1-3H3,(H,12,13).
What are the key properties of 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122472434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).