5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine

C12H17BrN2O — CID 71920301

IUPAC5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)CC1CCOC1
InChIInChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15(2)7-10-3-4-16-8-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyXZYIYAQQHPIBEJ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.63
Rot. Bonds3

About 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine

5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (PubChem CID 71920301) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
PubChem CID71920301
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)CC1CCOC1
InChIInChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15(2)7-10-3-4-16-8-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyXZYIYAQQHPIBEJ-UHFFFAOYSA-N
XLogP2.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N'-(5-Bromo-3-methylpyridin-2-yl)-N,N-dimethylmethanimidamide
CID 2747636
4-(3,5-Dibromopyridin-2-yl)morpholine
CID 66545210
N-(5-Bromo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamide
CID 18329348
5-bromo-1-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridine
CID 58730933
5-Bromo-N-methyl-N-((tetrahydrofuran-3-yl)methyl)pyridin-2-amine
CID 71862349
5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine
CID 75379547
[5-Bromo-2-(dimethylamino)pyridin-3-yl]methanol
CID 61993270
Methyl 3-((3-bromo-5-methylpyridin-2-yl)amino)propanoate
CID 105366747
Methyl 4-[(3-bromo-5-methylpyridin-2-yl)amino]butanoate
CID 138039827
N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide
CID 18329347
5-Bromo-N,3-dimethylpyridin-2-amine
CID 18329367
5-bromo-2-(dimethylamino)-N'-methylpyridine-3-carboximidamide
CID 163675592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (CID 71920301) is 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is Cc1cc(Br)cnc1N(C)CC1CCOC1.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The InChIKey is XZYIYAQQHPIBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15(2)7-10-3-4-16-8-10/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine has a molecular weight of 285.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71920301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).