7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride

C7H8Cl2FN3 — CID 162331239

IUPAC7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride
SMILESCl.Cl.Nc1cnc2c(c1F)=NCC=2
InChIInChI=1S/C7H6FN3.2ClH/c8-6-4(9)3-11-5-1-2-10-7(5)6;;/h1,3H,2,9H2;2*1H
InChIKeyGOWDJMZYADPGSC-UHFFFAOYSA-N
MW224.07 g/mol
LogP0.06
Rot. Bonds

About 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride

7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride (PubChem CID 162331239) has the molecular formula C7H8Cl2FN3 and a molecular weight of 224.07 g/mol. Its IUPAC name is 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride.

Molecular Properties

Compound Name7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride
PubChem CID162331239
Molecular FormulaC7H8Cl2FN3
Molecular Weight224.07 g/mol
Exact Mass223.01
IUPAC Name7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride
SMILESCl.Cl.Nc1cnc2c(c1F)=NCC=2
InChIInChI=1S/C7H6FN3.2ClH/c8-6-4(9)3-11-5-1-2-10-7(5)6;;/h1,3H,2,9H2;2*1H
InChIKeyGOWDJMZYADPGSC-UHFFFAOYSA-N
XLogP0.06
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride?
The IUPAC name of 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride (CID 162331239) is 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride.
What is the SMILES notation for 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride?
The canonical SMILES for 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride is Cl.Cl.Nc1cnc2c(c1F)=NCC=2.
What is the InChIKey of 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride?
The InChIKey is GOWDJMZYADPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3.2ClH/c8-6-4(9)3-11-5-1-2-10-7(5)6;;/h1,3H,2,9H2;2*1H.
What are the key properties of 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride?
7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride has a molecular weight of 224.07 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine;dihydrochloride is sourced from PubChem (CID 162331239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).