5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine

C9H10BrClN2O2S — CID 103579980

IUPAC5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
SMILESO=S1(=O)CCC(Nc2ncc(Br)cc2Cl)C1
InChIInChI=1S/C9H10BrClN2O2S/c10-6-3-8(11)9(12-4-6)13-7-1-2-16(14,15)5-7/h3-4,7H,1-2,5H2,(H,12,13)
InChIKeyTWBFVFZGRCWSAL-UHFFFAOYSA-N
MW325.62 g/mol
LogP2.10
Rot. Bonds2

About 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine

5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine (PubChem CID 103579980) has the molecular formula C9H10BrClN2O2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
PubChem CID103579980
Molecular FormulaC9H10BrClN2O2S
Molecular Weight325.62 g/mol
Exact Mass323.93
IUPAC Name5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
SMILESO=S1(=O)CCC(Nc2ncc(Br)cc2Cl)C1
InChIInChI=1S/C9H10BrClN2O2S/c10-6-3-8(11)9(12-4-6)13-7-1-2-16(14,15)5-7/h3-4,7H,1-2,5H2,(H,12,13)
InChIKeyTWBFVFZGRCWSAL-UHFFFAOYSA-N
XLogP2.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 28548311
5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 103579990
5-bromo-2-N-(1,1-dioxothian-4-yl)pyridine-2,3-diamine
CID 61227510
3-chloro-N-(1,1-dioxothian-3-yl)-5-nitropyridin-2-amine
CID 75374172
5-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115656925
5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 61301424
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
5-bromo-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 80784885
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505
methyl 4-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 103583959
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
N-[(3,5-dibromo-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 113393623

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine (CID 103579980) is 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine is O=S1(=O)CCC(Nc2ncc(Br)cc2Cl)C1.
What is the InChIKey of 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The InChIKey is TWBFVFZGRCWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2S/c10-6-3-8(11)9(12-4-6)13-7-1-2-16(14,15)5-7/h3-4,7H,1-2,5H2,(H,12,13).
What are the key properties of 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine has a molecular weight of 325.62 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 103579980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).