3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol

C9H13ClN2OS — CID 107770313

IUPAC3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCC(O)C(C)Sc1ncc(Cl)cc1N
InChIInChI=1S/C9H13ClN2OS/c1-5(13)6(2)14-9-8(11)3-7(10)4-12-9/h3-6,13H,11H2,1-2H3
InChIKeyQZCSWGBMBTZBOW-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.18
Rot. Bonds3

About 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol

3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol (PubChem CID 107770313) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol
PubChem CID107770313
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCC(O)C(C)Sc1ncc(Cl)cc1N
InChIInChI=1S/C9H13ClN2OS/c1-5(13)6(2)14-9-8(11)3-7(10)4-12-9/h3-6,13H,11H2,1-2H3
InChIKeyQZCSWGBMBTZBOW-UHFFFAOYSA-N
XLogP2.18
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol
CID 107770294
3-[(3,5-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 130816307
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772950
2,5-dichloropyridin-3-amine
CID 2799999
5-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107771145
3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772733
3-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772308
3-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 107770980
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 107771123
1-(3-bromo-5-chloro-2-pyridinyl)ethanol
CID 71744171
5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-amine
CID 115478291
5-chloro-2-iodopyridin-3-amine
CID 53485481

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol?
The IUPAC name of 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol (CID 107770313) is 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol?
The canonical SMILES for 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol is CC(O)C(C)Sc1ncc(Cl)cc1N.
What is the InChIKey of 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol?
The InChIKey is QZCSWGBMBTZBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-5(13)6(2)14-9-8(11)3-7(10)4-12-9/h3-6,13H,11H2,1-2H3.
What are the key properties of 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol?
3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol has a molecular weight of 232.74 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol is sourced from PubChem (CID 107770313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).