2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine

C15H22N2 — CID 146323008

IUPAC2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1cnc2[nH]c(C(C)(C)C)cc2c1
InChIInChI=1S/C15H22N2/c1-14(2,3)11-7-10-8-12(15(4,5)6)17-13(10)16-9-11/h7-9H,1-6H3,(H,16,17)
InChIKeyKKTRVXOKXLXCRV-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.16
Rot. Bonds

About 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine

2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146323008) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID146323008
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1cnc2[nH]c(C(C)(C)C)cc2c1
InChIInChI=1S/C15H22N2/c1-14(2,3)11-7-10-8-12(15(4,5)6)17-13(10)16-9-11/h7-9H,1-6H3,(H,16,17)
InChIKeyKKTRVXOKXLXCRV-UHFFFAOYSA-N
XLogP4.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine (CID 146323008) is 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)c1cnc2[nH]c(C(C)(C)C)cc2c1.
What is the InChIKey of 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KKTRVXOKXLXCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)11-7-10-8-12(15(4,5)6)17-13(10)16-9-11/h7-9H,1-6H3,(H,16,17).
What are the key properties of 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine?
2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 230.35 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146323008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).