2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

C7H10N2 — CID 163427066

IUPAC2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESC1=NC2=C(CC1)NCC2
InChIInChI=1S/C7H10N2/c1-2-6-7(8-4-1)3-5-9-6/h4,9H,1-3,5H2
InChIKeyANKVBYFSFBDBML-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.06
Rot. Bonds

About 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 163427066) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID163427066
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESC1=NC2=C(CC1)NCC2
InChIInChI=1S/C7H10N2/c1-2-6-7(8-4-1)3-5-9-6/h4,9H,1-3,5H2
InChIKeyANKVBYFSFBDBML-UHFFFAOYSA-N
XLogP1.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 17858138
5-methanidyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridin-5-ium
CID 58124011
1,2,3,4,7,8-Hexahydro-1,5-naphthyridine
CID 68745640
6-Ethyl-5-methyl-1,2-dihydropyrazine
CID 117881558
6-Methanimidoyl-1,2,3,4-tetrahydropyridin-5-amine
CID 147395355
6-(Methyliminomethyl)-1,2,3,4-tetrahydropyridin-5-amine
CID 172242938
1,2,3,4,7,8-Hexahydro-1,5-naphthyridin-5-ium
CID 173071655
(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 142055314
4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine
CID 157052418

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (CID 163427066) is 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is C1=NC2=C(CC1)NCC2.
What is the InChIKey of 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ANKVBYFSFBDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-7(8-4-1)3-5-9-6/h4,9H,1-3,5H2.
What are the key properties of 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 122.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 163427066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).