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

C13H15N3 — CID 58130150

IUPAC6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc2c(C3=CCNCC3)c[nH]c2n1
InChIInChI=1S/C13H15N3/c1-9-2-3-11-12(8-15-13(11)16-9)10-4-6-14-7-5-10/h2-4,8,14H,5-7H2,1H3,(H,15,16)
InChIKeyUHXPIYNLAHCOQV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.25
Rot. Bonds1

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

6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58130150) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID58130150
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc2c(C3=CCNCC3)c[nH]c2n1
InChIInChI=1S/C13H15N3/c1-9-2-3-11-12(8-15-13(11)16-9)10-4-6-14-7-5-10/h2-4,8,14H,5-7H2,1H3,(H,15,16)
InChIKeyUHXPIYNLAHCOQV-UHFFFAOYSA-N
XLogP2.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 58130150) is 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccc2c(C3=CCNCC3)c[nH]c2n1.
What is the InChIKey of 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UHXPIYNLAHCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-2-3-11-12(8-15-13(11)16-9)10-4-6-14-7-5-10/h2-4,8,14H,5-7H2,1H3,(H,15,16).
What are the key properties of 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 213.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58130150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).