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

C12H13N3 — CID 11999610

IUPAC4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C(c2ccnc3[nH]ccc23)CCNC1
InChIInChI=1S/C12H13N3/c1-5-13-6-2-9(1)10-3-7-14-12-11(10)4-8-15-12/h1,3-4,7-8,13H,2,5-6H2,(H,14,15)
InChIKeyFKUVOSMVICANIZ-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.94
Rot. Bonds1

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

4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11999610) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID11999610
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C(c2ccnc3[nH]ccc23)CCNC1
InChIInChI=1S/C12H13N3/c1-5-13-6-2-9(1)10-3-7-14-12-11(10)4-8-15-12/h1,3-4,7-8,13H,2,5-6H2,(H,14,15)
InChIKeyFKUVOSMVICANIZ-UHFFFAOYSA-N
XLogP1.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142023556
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-pyrrolo[2,3-b]pyridine
CID 67356458
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
CID 62813158
6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58130150
4-(6-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 11999615
4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
CID 71758030
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 170449822
6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59559466
4-(6-fluoro-2,3-dihydro-1H-inden-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 166375879
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 58896795

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 11999610) is 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is C1=C(c2ccnc3[nH]ccc23)CCNC1.
What is the InChIKey of 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FKUVOSMVICANIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-5-13-6-2-9(1)10-3-7-14-12-11(10)4-8-15-12/h1,3-4,7-8,13H,2,5-6H2,(H,14,15).
What are the key properties of 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 199.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11999610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).