2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride

C8H13Cl2N3 — CID 23000261

IUPAC2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cnc2c(c1)CCN2
InChIInChI=1S/C8H11N3.2ClH/c9-4-6-3-7-1-2-10-8(7)11-5-6;;/h3,5H,1-2,4,9H2,(H,10,11);2*1H
InChIKeyBGRDFGFWUFBODZ-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.35
Rot. Bonds1

About 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride

2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride (PubChem CID 23000261) has the molecular formula C8H13Cl2N3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride
PubChem CID23000261
Molecular FormulaC8H13Cl2N3
Molecular Weight222.12 g/mol
Exact Mass221.05
IUPAC Name2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cnc2c(c1)CCN2
InChIInChI=1S/C8H11N3.2ClH/c9-4-6-3-7-1-2-10-8(7)11-5-6;;/h3,5H,1-2,4,9H2,(H,10,11);2*1H
InChIKeyBGRDFGFWUFBODZ-UHFFFAOYSA-N
XLogP1.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride (CID 23000261) is 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride is Cl.Cl.NCc1cnc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride?
The InChIKey is BGRDFGFWUFBODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.2ClH/c9-4-6-3-7-1-2-10-8(7)11-5-6;;/h3,5H,1-2,4,9H2,(H,10,11);2*1H.
What are the key properties of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride?
2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride has a molecular weight of 222.12 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride is sourced from PubChem (CID 23000261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).