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

C12H13N3 — CID 19807464

IUPAC3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CC(c2c[nH]c3ncccc23)NCC1
InChIInChI=1S/C12H13N3/c1-2-6-13-11(5-1)10-8-15-12-9(10)4-3-7-14-12/h1,3-5,7-8,11,13H,2,6H2,(H,14,15)
InChIKeyXGVCNCNTSKOHDK-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.15
Rot. Bonds1

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

3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 19807464) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID19807464
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CC(c2c[nH]c3ncccc23)NCC1
InChIInChI=1S/C12H13N3/c1-2-6-13-11(5-1)10-8-15-12-9(10)4-3-7-14-12/h1,3-5,7-8,11,13H,2,6H2,(H,14,15)
InChIKeyXGVCNCNTSKOHDK-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(azetidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 55293524
3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 59544107
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 64866594
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine
CID 57475082
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133283992
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine (CID 19807464) is 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine is C1=CC(c2c[nH]c3ncccc23)NCC1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XGVCNCNTSKOHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-6-13-11(5-1)10-8-15-12-9(10)4-3-7-14-12/h1,3-5,7-8,11,13H,2,6H2,(H,14,15).
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 199.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 19807464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).