ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C14H19N3 — CID 142023556

IUPACethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C(c2c[nH]c3ncccc23)CCNC1.CC
InChIInChI=1S/C12H13N3.C2H6/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9;1-2/h1-3,5,8,13H,4,6-7H2,(H,14,15);1-2H3
InChIKeyMVBOSFNCGXVIBU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.97
Rot. Bonds1

About ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 142023556) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID142023556
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Nameethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C(c2c[nH]c3ncccc23)CCNC1.CC
InChIInChI=1S/C12H13N3.C2H6/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9;1-2/h1-3,5,8,13H,4,6-7H2,(H,14,15);1-2H3
InChIKeyMVBOSFNCGXVIBU-UHFFFAOYSA-N
XLogP2.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 142023556) is ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is C1=C(c2c[nH]c3ncccc23)CCNC1.CC.
What is the InChIKey of ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MVBOSFNCGXVIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.C2H6/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9;1-2/h1-3,5,8,13H,4,6-7H2,(H,14,15);1-2H3.
What are the key properties of ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 229.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142023556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).