5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine

C11H14BrClN2S — CID 103582588

IUPAC5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Br)cc2Cl)CCCS1
InChIInChI=1S/C11H14BrClN2S/c1-11(3-2-4-16-11)7-15-10-9(13)5-8(12)6-14-10/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeySOVXGDNSPOGLTQ-UHFFFAOYSA-N
MW321.67 g/mol
LogP4.20
Rot. Bonds3

About 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine

5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine (PubChem CID 103582588) has the molecular formula C11H14BrClN2S and a molecular weight of 321.67 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
PubChem CID103582588
Molecular FormulaC11H14BrClN2S
Molecular Weight321.67 g/mol
Exact Mass319.97
IUPAC Name5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Br)cc2Cl)CCCS1
InChIInChI=1S/C11H14BrClN2S/c1-11(3-2-4-16-11)7-15-10-9(13)5-8(12)6-14-10/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeySOVXGDNSPOGLTQ-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.67
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine (CID 103582588) is 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine is CC1(CNc2ncc(Br)cc2Cl)CCCS1.
What is the InChIKey of 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine?
The InChIKey is SOVXGDNSPOGLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2S/c1-11(3-2-4-16-11)7-15-10-9(13)5-8(12)6-14-10/h5-6H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine?
5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine has a molecular weight of 321.67 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103582588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).