3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine

C11H15BrN2O — CID 118045798

IUPAC3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine
SMILESCC1(c2cnc(N)c(Br)c2)CCOCC1
InChIInChI=1S/C11H15BrN2O/c1-11(2-4-15-5-3-11)8-6-9(12)10(13)14-7-8/h6-7H,2-5H2,1H3,(H2,13,14)
InChIKeyBSUWJYFLXMKIPU-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.49
Rot. Bonds1

About 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine

3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine (PubChem CID 118045798) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine
PubChem CID118045798
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine
SMILESCC1(c2cnc(N)c(Br)c2)CCOCC1
InChIInChI=1S/C11H15BrN2O/c1-11(2-4-15-5-3-11)8-6-9(12)10(13)14-7-8/h6-7H,2-5H2,1H3,(H2,13,14)
InChIKeyBSUWJYFLXMKIPU-UHFFFAOYSA-N
XLogP2.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine (CID 118045798) is 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine is CC1(c2cnc(N)c(Br)c2)CCOCC1.
What is the InChIKey of 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine?
The InChIKey is BSUWJYFLXMKIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2-4-15-5-3-11)8-6-9(12)10(13)14-7-8/h6-7H,2-5H2,1H3,(H2,13,14).
What are the key properties of 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine?
3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-methyloxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 118045798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).