1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid

C7H6N2O2S — CID 172829313

IUPAC1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid
SMILESO=S(O)c1cc2ncccc2[nH]1
InChIInChI=1S/C7H6N2O2S/c10-12(11)7-4-6-5(9-7)2-1-3-8-6/h1-4,9H,(H,10,11)
InChIKeyVHMXPJRZBOKPSF-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.14
Rot. Bonds1

About 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid

1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid (PubChem CID 172829313) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid.

Molecular Properties

Compound Name1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid
PubChem CID172829313
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid
SMILESO=S(O)c1cc2ncccc2[nH]1
InChIInChI=1S/C7H6N2O2S/c10-12(11)7-4-6-5(9-7)2-1-3-8-6/h1-4,9H,(H,10,11)
InChIKeyVHMXPJRZBOKPSF-UHFFFAOYSA-N
XLogP1.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 87356821
3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176580356
1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid
CID 174209450
3-phenyl-1H-1,5-naphthyridin-2-one
CID 12992200
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
CID 87453078
CID 87453078
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205
2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
CID 118825995
1,5-naphthyridine-2-sulfinic acid
CID 67246357
methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 170754494
1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92571713
4-(1H-pyrrolo[3,2-b]pyridin-2-yl)butanenitrile
CID 16757321

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid?
The IUPAC name of 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid (CID 172829313) is 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid.
What is the SMILES notation for 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid?
The canonical SMILES for 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid is O=S(O)c1cc2ncccc2[nH]1.
What is the InChIKey of 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid?
The InChIKey is VHMXPJRZBOKPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-12(11)7-4-6-5(9-7)2-1-3-8-6/h1-4,9H,(H,10,11).
What are the key properties of 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid?
1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid has a molecular weight of 182.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid is sourced from PubChem (CID 172829313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).