2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine

C11H10N2 — CID 154956775

IUPAC2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCC#Cc1cc2cccnc2[nH]1
InChIInChI=1S/C11H10N2/c1-2-3-6-10-8-9-5-4-7-12-11(9)13-10/h4-5,7-8H,2H2,1H3,(H,12,13)
InChIKeyAQKOHSFDRYJAQN-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.32
Rot. Bonds

About 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine

2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 154956775) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID154956775
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCC#Cc1cc2cccnc2[nH]1
InChIInChI=1S/C11H10N2/c1-2-3-6-10-8-9-5-4-7-12-11(9)13-10/h4-5,7-8H,2H2,1H3,(H,12,13)
InChIKeyAQKOHSFDRYJAQN-UHFFFAOYSA-N
XLogP2.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine (CID 154956775) is 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine is CCC#Cc1cc2cccnc2[nH]1.
What is the InChIKey of 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AQKOHSFDRYJAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-3-6-10-8-9-5-4-7-12-11(9)13-10/h4-5,7-8H,2H2,1H3,(H,12,13).
What are the key properties of 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine?
2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 170.21 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 154956775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).