1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride

C8H11Cl2N3 — CID 69263704

IUPAC1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnc2[nH]ccc12
InChIInChI=1S/C8H9N3.2ClH/c9-5-6-1-3-10-8-7(6)2-4-11-8;;/h1-4H,5,9H2,(H,10,11);2*1H
InChIKeyZFERKVVHMDVLPT-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.87
Rot. Bonds1

About 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride

1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride (PubChem CID 69263704) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride
PubChem CID69263704
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC Name1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnc2[nH]ccc12
InChIInChI=1S/C8H9N3.2ClH/c9-5-6-1-3-10-8-7(6)2-4-11-8;;/h1-4H,5,9H2,(H,10,11);2*1H
InChIKeyZFERKVVHMDVLPT-UHFFFAOYSA-N
XLogP1.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride (CID 69263704) is 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride is Cl.Cl.NCc1ccnc2[nH]ccc12.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride?
The InChIKey is ZFERKVVHMDVLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.2ClH/c9-5-6-1-3-10-8-7(6)2-4-11-8;;/h1-4H,5,9H2,(H,10,11);2*1H.
What are the key properties of 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride?
1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride has a molecular weight of 220.10 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 69263704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).