3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine

C10H14BrClN2O — CID 114837675

IUPAC3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ncc(Cl)cc1Br
InChIInChI=1S/C10H14BrClN2O/c1-14(2)4-3-5-15-10-9(11)6-8(12)7-13-10/h6-7H,3-5H2,1-2H3
InChIKeyMCZWGZYCSIVANE-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.83
Rot. Bonds5

About 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine

3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 114837675) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID114837675
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ncc(Cl)cc1Br
InChIInChI=1S/C10H14BrClN2O/c1-14(2)4-3-5-15-10-9(11)6-8(12)7-13-10/h6-7H,3-5H2,1-2H3
InChIKeyMCZWGZYCSIVANE-UHFFFAOYSA-N
XLogP2.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-chloro-2-(4-methylpentoxy)pyridine
CID 114837631
3-bromo-5-chloro-2-pent-4-enoxypyridine
CID 114837799
N-[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 114838231
5-bromo-6-[2-(dimethylamino)ethoxy]pyridin-3-amine;ethane
CID 143903964
3-bromo-5-chloro-2-(cyclopropylmethoxy)pyridine
CID 114837615
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
CID 79076859
3-bromo-5-chloro-2-(4-ethyl-2-methoxyphenoxy)pyridine
CID 107667632
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
CID 103483716
3-bromo-5-chloro-2-(cyclopentylmethoxy)pyridine
CID 114837797
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine (CID 114837675) is 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ncc(Cl)cc1Br.
What is the InChIKey of 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is MCZWGZYCSIVANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O/c1-14(2)4-3-5-15-10-9(11)6-8(12)7-13-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 293.59 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114837675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).