pyrrolo[2,3-b]pyridin-2-one;dihydrochloride

C7H6Cl2N2O — CID 174216203

IUPACpyrrolo[2,3-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=C1C=c2cccnc2=N1
InChIInChI=1S/C7H4N2O.2ClH/c10-6-4-5-2-1-3-8-7(5)9-6;;/h1-4H;2*1H
InChIKeyYHVBMFJGBAMPNF-UHFFFAOYSA-N
MW205.04 g/mol
LogP-0.13
Rot. Bonds

About pyrrolo[2,3-b]pyridin-2-one;dihydrochloride

pyrrolo[2,3-b]pyridin-2-one;dihydrochloride (PubChem CID 174216203) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is pyrrolo[2,3-b]pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Namepyrrolo[2,3-b]pyridin-2-one;dihydrochloride
PubChem CID174216203
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Namepyrrolo[2,3-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=C1C=c2cccnc2=N1
InChIInChI=1S/C7H4N2O.2ClH/c10-6-4-5-2-1-3-8-7(5)9-6;;/h1-4H;2*1H
InChIKeyYHVBMFJGBAMPNF-UHFFFAOYSA-N
XLogP-0.13
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-b]pyridin-2-one;dihydrochloride?
The IUPAC name of pyrrolo[2,3-b]pyridin-2-one;dihydrochloride (CID 174216203) is pyrrolo[2,3-b]pyridin-2-one;dihydrochloride.
What is the SMILES notation for pyrrolo[2,3-b]pyridin-2-one;dihydrochloride?
The canonical SMILES for pyrrolo[2,3-b]pyridin-2-one;dihydrochloride is Cl.Cl.O=C1C=c2cccnc2=N1.
What is the InChIKey of pyrrolo[2,3-b]pyridin-2-one;dihydrochloride?
The InChIKey is YHVBMFJGBAMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O.2ClH/c10-6-4-5-2-1-3-8-7(5)9-6;;/h1-4H;2*1H.
What are the key properties of pyrrolo[2,3-b]pyridin-2-one;dihydrochloride?
pyrrolo[2,3-b]pyridin-2-one;dihydrochloride has a molecular weight of 205.04 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-b]pyridin-2-one;dihydrochloride is sourced from PubChem (CID 174216203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).