5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine

C10H16BrNS — CID 131154589

IUPAC5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCSC1(CN2CCC=C(Br)C2)CC1
InChIInChI=1S/C10H16BrNS/c1-13-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3
InChIKeyAODICVKYLSMVLN-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine

5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 131154589) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID131154589
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCSC1(CN2CCC=C(Br)C2)CC1
InChIInChI=1S/C10H16BrNS/c1-13-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3
InChIKeyAODICVKYLSMVLN-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine (CID 131154589) is 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine is CSC1(CN2CCC=C(Br)C2)CC1.
What is the InChIKey of 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is AODICVKYLSMVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-13-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3.
What are the key properties of 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 262.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131154589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).