2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

C14H20N2 — CID 135080609

IUPAC2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCCCCCc1cc2cc(C)cnc2[nH]1
InChIInChI=1S/C14H20N2/c1-3-4-5-6-7-13-9-12-8-11(2)10-15-14(12)16-13/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyFPARDRDHUQGQOB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.99
Rot. Bonds5

About 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 135080609) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID135080609
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCCCCCc1cc2cc(C)cnc2[nH]1
InChIInChI=1S/C14H20N2/c1-3-4-5-6-7-13-9-12-8-11(2)10-15-14(12)16-13/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyFPARDRDHUQGQOB-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine (CID 135080609) is 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine is CCCCCCc1cc2cc(C)cnc2[nH]1.
What is the InChIKey of 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FPARDRDHUQGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-5-6-7-13-9-12-8-11(2)10-15-14(12)16-13/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine?
2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 216.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135080609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).