1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine

C12H16N2 — CID 167151108

IUPAC1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine
SMILESCCC(C)(C)n1ccc2ccncc21
InChIInChI=1S/C12H16N2/c1-4-12(2,3)14-8-6-10-5-7-13-9-11(10)14/h5-9H,4H2,1-3H3
InChIKeyTXCGYBQOHBHYRW-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.18
Rot. Bonds2

About 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine

1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine (PubChem CID 167151108) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine
PubChem CID167151108
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine
SMILESCCC(C)(C)n1ccc2ccncc21
InChIInChI=1S/C12H16N2/c1-4-12(2,3)14-8-6-10-5-7-13-9-11(10)14/h5-9H,4H2,1-3H3
InChIKeyTXCGYBQOHBHYRW-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine (CID 167151108) is 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine is CCC(C)(C)n1ccc2ccncc21.
What is the InChIKey of 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine?
The InChIKey is TXCGYBQOHBHYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-12(2,3)14-8-6-10-5-7-13-9-11(10)14/h5-9H,4H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine?
1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 188.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 167151108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).