3-propyl-1H-pyrrolo[3,2-b]pyridine

C10H12N2 — CID 23521600

IUPAC3-propyl-1H-pyrrolo[3,2-b]pyridine
SMILESCCCc1c[nH]c2cccnc12
InChIInChI=1S/C10H12N2/c1-2-4-8-7-12-9-5-3-6-11-10(8)9/h3,5-7,12H,2,4H2,1H3
InChIKeySBXKIXOWHPGXNU-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.52
Rot. Bonds2

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

3-propyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 23521600) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-propyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-propyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID23521600
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-propyl-1H-pyrrolo[3,2-b]pyridine
SMILESCCCc1c[nH]c2cccnc12
InChIInChI=1S/C10H12N2/c1-2-4-8-7-12-9-5-3-6-11-10(8)9/h3,5-7,12H,2,4H2,1H3
InChIKeySBXKIXOWHPGXNU-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-propyl-1H-pyrrolo[3,2-b]pyridine (CID 23521600) is 3-propyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-propyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-propyl-1H-pyrrolo[3,2-b]pyridine is CCCc1c[nH]c2cccnc12.
What is the InChIKey of 3-propyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is SBXKIXOWHPGXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-8-7-12-9-5-3-6-11-10(8)9/h3,5-7,12H,2,4H2,1H3.
What are the key properties of 3-propyl-1H-pyrrolo[3,2-b]pyridine?
3-propyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 160.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 23521600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).