quinolin-2-yl hydrogen sulfite

C9H7NO3S — CID 175245480

IUPACquinolin-2-yl hydrogen sulfite
SMILESO=S(O)Oc1ccc2ccccc2n1
InChIInChI=1S/C9H7NO3S/c11-14(12)13-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,11,12)
InChIKeyNBGGZRQACDNVSC-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.75
Rot. Bonds2

About quinolin-2-yl hydrogen sulfite

quinolin-2-yl hydrogen sulfite (PubChem CID 175245480) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is quinolin-2-yl hydrogen sulfite.

Molecular Properties

Compound Namequinolin-2-yl hydrogen sulfite
PubChem CID175245480
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Namequinolin-2-yl hydrogen sulfite
SMILESO=S(O)Oc1ccc2ccccc2n1
InChIInChI=1S/C9H7NO3S/c11-14(12)13-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,11,12)
InChIKeyNBGGZRQACDNVSC-UHFFFAOYSA-N
XLogP1.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphane;2-quinolin-2-yloxyquinoline
CID 166708861
quinolin-2-yl hypofluorite
CID 141219202
2-quinolin-2-yloxyethanol
CID 19898678
N-quinolin-2-yloxypropan-2-imine
CID 134119603
2-aminoacetamide;quinolin-2-yl hydrogen carbonate
CID 22446093
amino(quinolin-2-yl)methanesulfinic acid
CID 66872593
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995
2-quinolin-2-yloxyethanamine
CID 62348403
2-[2-(2-quinolin-2-yloxyethoxy)ethoxy]ethanol
CID 142628371
2-(4-iodophenoxy)quinoline
CID 60645353
11-quinolin-2-yloxyundecan-2-one
CID 19898708
2-(3,5-dimethoxyphenoxy)quinoline
CID 175975830

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl hydrogen sulfite?
The IUPAC name of quinolin-2-yl hydrogen sulfite (CID 175245480) is quinolin-2-yl hydrogen sulfite.
What is the SMILES notation for quinolin-2-yl hydrogen sulfite?
The canonical SMILES for quinolin-2-yl hydrogen sulfite is O=S(O)Oc1ccc2ccccc2n1.
What is the InChIKey of quinolin-2-yl hydrogen sulfite?
The InChIKey is NBGGZRQACDNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-14(12)13-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,11,12).
What are the key properties of quinolin-2-yl hydrogen sulfite?
quinolin-2-yl hydrogen sulfite has a molecular weight of 209.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl hydrogen sulfite is sourced from PubChem (CID 175245480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).