2-(1,8-naphthyridin-4-yl)ethanesulfonic acid

C10H10N2O3S — CID 174850608

IUPAC2-(1,8-naphthyridin-4-yl)ethanesulfonic acid
SMILESO=S(=O)(O)CCc1ccnc2ncccc12
InChIInChI=1S/C10H10N2O3S/c13-16(14,15)7-4-8-3-6-12-10-9(8)2-1-5-11-10/h1-3,5-6H,4,7H2,(H,13,14,15)
InChIKeyLGRZDNUDSWJXQQ-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.06
Rot. Bonds3

About 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid

2-(1,8-naphthyridin-4-yl)ethanesulfonic acid (PubChem CID 174850608) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid.

Molecular Properties

Compound Name2-(1,8-naphthyridin-4-yl)ethanesulfonic acid
PubChem CID174850608
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-(1,8-naphthyridin-4-yl)ethanesulfonic acid
SMILESO=S(=O)(O)CCc1ccnc2ncccc12
InChIInChI=1S/C10H10N2O3S/c13-16(14,15)7-4-8-3-6-12-10-9(8)2-1-5-11-10/h1-3,5-6H,4,7H2,(H,13,14,15)
InChIKeyLGRZDNUDSWJXQQ-UHFFFAOYSA-N
XLogP1.06
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-butyl-1,8-naphthyridine
CID 20689310
2-[2-(2-sulfoethyl)-4-pyridinyl]ethanesulfonic acid
CID 19377979
3-(2-ethenyl-3-pyridinyl)propane-1-sulfonic acid;pyridine
CID 174800959
N,N-dimethyl-1,8-naphthyridin-4-amine;4-methylbenzenesulfonic acid
CID 175273136
3-quinolin-5-ylpropanoic acid
CID 81224223
3-quinolin-4-ylpropan-1-ol
CID 21218471
8-pyridin-3-yloctane-1-sulfonic acid
CID 102468636
4-quinolin-4-ylbutan-1-amine
CID 10559963
3-(2,6-dioctylphenoxy)propane-1-sulfonic acid
CID 101315661
3-[4-(3-phenylpropyl)-2-pyridinyl]propane-1-sulfonic acid
CID 87886254
(3-hydroxy-2-pyridinyl)methanesulfonic acid
CID 22931545
ethane;4-methyl-1,8-naphthyridine
CID 143124676

Frequently Asked Questions

What is the IUPAC name of 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid?
The IUPAC name of 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid (CID 174850608) is 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid.
What is the SMILES notation for 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid?
The canonical SMILES for 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid is O=S(=O)(O)CCc1ccnc2ncccc12.
What is the InChIKey of 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid?
The InChIKey is LGRZDNUDSWJXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-16(14,15)7-4-8-3-6-12-10-9(8)2-1-5-11-10/h1-3,5-6H,4,7H2,(H,13,14,15).
What are the key properties of 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid?
2-(1,8-naphthyridin-4-yl)ethanesulfonic acid has a molecular weight of 238.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8-naphthyridin-4-yl)ethanesulfonic acid is sourced from PubChem (CID 174850608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).