4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine

C12H16N2 — CID 89297062

IUPAC4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(C(C)(C)C)c2cc[nH]c2n1
InChIInChI=1S/C12H16N2/c1-8-7-10(12(2,3)4)9-5-6-13-11(9)14-8/h5-7H,1-4H3,(H,13,14)
InChIKeyIXTQRQUIMJFFLP-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.17
Rot. Bonds

About 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine

4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89297062) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID89297062
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(C(C)(C)C)c2cc[nH]c2n1
InChIInChI=1S/C12H16N2/c1-8-7-10(12(2,3)4)9-5-6-13-11(9)14-8/h5-7H,1-4H3,(H,13,14)
InChIKeyIXTQRQUIMJFFLP-UHFFFAOYSA-N
XLogP3.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine (CID 89297062) is 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1cc(C(C)(C)C)c2cc[nH]c2n1.
What is the InChIKey of 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IXTQRQUIMJFFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-7-10(12(2,3)4)9-5-6-13-11(9)14-8/h5-7H,1-4H3,(H,13,14).
What are the key properties of 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine?
4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 188.27 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89297062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).