2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine

C10H15BrN2O — CID 131137663

IUPAC2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine
SMILESCOC(C)CNc1cc(C)cnc1Br
InChIInChI=1S/C10H15BrN2O/c1-7-4-9(10(11)13-5-7)12-6-8(2)14-3/h4-5,8,12H,6H2,1-3H3
InChIKeyJSCVHNMUAUHPIC-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.60
Rot. Bonds4

About 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine

2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine (PubChem CID 131137663) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine
PubChem CID131137663
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine
SMILESCOC(C)CNc1cc(C)cnc1Br
InChIInChI=1S/C10H15BrN2O/c1-7-4-9(10(11)13-5-7)12-6-8(2)14-3/h4-5,8,12H,6H2,1-3H3
InChIKeyJSCVHNMUAUHPIC-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
CID 130595242
2-bromo-N,5-dimethylpyridin-3-amine
CID 130595273
5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
CID 107592069
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
N-(2-methoxypropyl)-5-methyl-2-nitroaniline
CID 102698941
N-(2-bromo-5-methyl-3-pyridinyl)acetamide
CID 13467716
4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline
CID 102694579
N-(2-methoxypropyl)-5,6-dimethylpyrazin-2-amine
CID 102698959
6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile
CID 118036603
N-(2-methoxypropyl)-4-methylaniline
CID 102551518
N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
CID 130595270
2-(2-methoxypropylamino)-5-methylbenzenecarbothioamide
CID 107929339

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine?
The IUPAC name of 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine (CID 131137663) is 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine.
What is the SMILES notation for 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine?
The canonical SMILES for 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine is COC(C)CNc1cc(C)cnc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine?
The InChIKey is JSCVHNMUAUHPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7-4-9(10(11)13-5-7)12-6-8(2)14-3/h4-5,8,12H,6H2,1-3H3.
What are the key properties of 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine?
2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine has a molecular weight of 259.15 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine is sourced from PubChem (CID 131137663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).