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

C11H10N2 — CID 87152365

IUPAC3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESC1=C(c2c[nH]c3cnccc23)CC1
InChIInChI=1S/C11H10N2/c1-2-8(3-1)10-6-13-11-7-12-5-4-9(10)11/h2,4-7,13H,1,3H2
InChIKeyGZDGMGBOMPGIBO-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.74
Rot. Bonds1

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

3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 87152365) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID87152365
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESC1=C(c2c[nH]c3cnccc23)CC1
InChIInChI=1S/C11H10N2/c1-2-8(3-1)10-6-13-11-7-12-5-4-9(10)11/h2,4-7,13H,1,3H2
InChIKeyGZDGMGBOMPGIBO-UHFFFAOYSA-N
XLogP2.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine (CID 87152365) is 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine is C1=C(c2c[nH]c3cnccc23)CC1.
What is the InChIKey of 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is GZDGMGBOMPGIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-8(3-1)10-6-13-11-7-12-5-4-9(10)11/h2,4-7,13H,1,3H2.
What are the key properties of 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine?
3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 170.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 87152365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).