5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine

C12H17BrN2O — CID 79717768

IUPAC5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)C1CCCO1
InChIInChI=1S/C12H17BrN2O/c1-8-6-10(13)7-14-12(8)15-9(2)11-4-3-5-16-11/h6-7,9,11H,3-5H2,1-2H3,(H,14,15)
InChIKeySDPUVLBEFUZLMT-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.13
Rot. Bonds3

About 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine

5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine (PubChem CID 79717768) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
PubChem CID79717768
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)C1CCCO1
InChIInChI=1S/C12H17BrN2O/c1-8-6-10(13)7-14-12(8)15-9(2)11-4-3-5-16-11/h6-7,9,11H,3-5H2,1-2H3,(H,14,15)
InChIKeySDPUVLBEFUZLMT-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine (CID 79717768) is 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine is Cc1cc(Br)cnc1NC(C)C1CCCO1.
What is the InChIKey of 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is SDPUVLBEFUZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-6-10(13)7-14-12(8)15-9(2)11-4-3-5-16-11/h6-7,9,11H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine?
5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 285.19 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 79717768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).