2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde

C8H10N2OS — CID 119090776

IUPAC2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde
SMILESCSC(C=O)c1cccnc1N
InChIInChI=1S/C8H10N2OS/c1-12-7(5-11)6-3-2-4-10-8(6)9/h2-5,7H,1H3,(H2,9,10)
InChIKeyWPPMLVDKRMQYFG-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.27
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde

2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde (PubChem CID 119090776) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde
PubChem CID119090776
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde
SMILESCSC(C=O)c1cccnc1N
InChIInChI=1S/C8H10N2OS/c1-12-7(5-11)6-3-2-4-10-8(6)9/h2-5,7H,1H3,(H2,9,10)
InChIKeyWPPMLVDKRMQYFG-UHFFFAOYSA-N
XLogP1.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
ethane;3-methylsulfanylpyridin-2-amine
CID 142810881
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
3-[1-[ethenyl(methyl)amino]ethyl]pyridin-2-amine
CID 176568611
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine
CID 79492532
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79052994
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde?
The IUPAC name of 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde (CID 119090776) is 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde is CSC(C=O)c1cccnc1N.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde?
The InChIKey is WPPMLVDKRMQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-7(5-11)6-3-2-4-10-8(6)9/h2-5,7H,1H3,(H2,9,10).
What are the key properties of 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde?
2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde has a molecular weight of 182.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-2-methylsulfanylacetaldehyde is sourced from PubChem (CID 119090776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).