3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine

C9H11BrN2OS — CID 130631319

IUPAC3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine
SMILESO=S1CCC(Nc2ncccc2Br)C1
InChIInChI=1S/C9H11BrN2OS/c10-8-2-1-4-11-9(8)12-7-3-5-14(13)6-7/h1-2,4,7H,3,5-6H2,(H,11,12)
InChIKeyPFKKEZBHSQBOHC-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.78
Rot. Bonds2

About 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine

3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine (PubChem CID 130631319) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine
PubChem CID130631319
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine
SMILESO=S1CCC(Nc2ncccc2Br)C1
InChIInChI=1S/C9H11BrN2OS/c10-8-2-1-4-11-9(8)12-7-3-5-14(13)6-7/h1-2,4,7H,3,5-6H2,(H,11,12)
InChIKeyPFKKEZBHSQBOHC-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
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N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
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3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine
CID 127002095
N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-cyclopropyl-3-ethylpyridin-2-amine
CID 90352584
1-[(1-oxothian-4-yl)amino]isoquinolin-7-ol
CID 106539617
3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
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CID 62414981

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine (CID 130631319) is 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine is O=S1CCC(Nc2ncccc2Br)C1.
What is the InChIKey of 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine?
The InChIKey is PFKKEZBHSQBOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c10-8-2-1-4-11-9(8)12-7-3-5-14(13)6-7/h1-2,4,7H,3,5-6H2,(H,11,12).
What are the key properties of 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine?
3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine has a molecular weight of 275.17 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 130631319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).