3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine

C12H17BrN2O2 — CID 105367120

IUPAC3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
SMILESCOC1(CNc2ncc(C)cc2Br)CCOC1
InChIInChI=1S/C12H17BrN2O2/c1-9-5-10(13)11(14-6-9)15-7-12(16-2)3-4-17-8-12/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyDUYZSZSNAKWUON-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.37
Rot. Bonds4

About 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine

3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine (PubChem CID 105367120) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
PubChem CID105367120
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
SMILESCOC1(CNc2ncc(C)cc2Br)CCOC1
InChIInChI=1S/C12H17BrN2O2/c1-9-5-10(13)11(14-6-9)15-7-12(16-2)3-4-17-8-12/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyDUYZSZSNAKWUON-UHFFFAOYSA-N
XLogP2.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine (CID 105367120) is 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine is COC1(CNc2ncc(C)cc2Br)CCOC1.
What is the InChIKey of 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine?
The InChIKey is DUYZSZSNAKWUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9-5-10(13)11(14-6-9)15-7-12(16-2)3-4-17-8-12/h5-6H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine?
3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine has a molecular weight of 301.18 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105367120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).