6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine

C13H18N2 — CID 130207251

IUPAC6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCCCC(CC)c1ccc2cc[nH]c2n1
InChIInChI=1S/C13H18N2/c1-3-5-10(4-2)12-7-6-11-8-9-14-13(11)15-12/h6-10H,3-5H2,1-2H3,(H,14,15)
InChIKeyFONQAALFXHCDKL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.86
Rot. Bonds4

About 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine

6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 130207251) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID130207251
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCCCC(CC)c1ccc2cc[nH]c2n1
InChIInChI=1S/C13H18N2/c1-3-5-10(4-2)12-7-6-11-8-9-14-13(11)15-12/h6-10H,3-5H2,1-2H3,(H,14,15)
InChIKeyFONQAALFXHCDKL-UHFFFAOYSA-N
XLogP3.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 130207251) is 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine is CCCC(CC)c1ccc2cc[nH]c2n1.
What is the InChIKey of 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FONQAALFXHCDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-5-10(4-2)12-7-6-11-8-9-14-13(11)15-12/h6-10H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine?
6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 202.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexan-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130207251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).