5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine

C9H12BrClN2O — CID 106181473

IUPAC5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine
SMILESCOCC(CCl)Nc1ccc(Br)cn1
InChIInChI=1S/C9H12BrClN2O/c1-14-6-8(4-11)13-9-3-2-7(10)5-12-9/h2-3,5,8H,4,6H2,1H3,(H,12,13)
InChIKeyLUCASUDVTKDXCL-UHFFFAOYSA-N
MW279.56 g/mol
LogP2.51
Rot. Bonds5

About 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine

5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine (PubChem CID 106181473) has the molecular formula C9H12BrClN2O and a molecular weight of 279.56 g/mol. Its IUPAC name is 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine
PubChem CID106181473
Molecular FormulaC9H12BrClN2O
Molecular Weight279.56 g/mol
Exact Mass277.98
IUPAC Name5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine
SMILESCOCC(CCl)Nc1ccc(Br)cn1
InChIInChI=1S/C9H12BrClN2O/c1-14-6-8(4-11)13-9-3-2-7(10)5-12-9/h2-3,5,8H,4,6H2,1H3,(H,12,13)
InChIKeyLUCASUDVTKDXCL-UHFFFAOYSA-N
XLogP2.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
N-(1-chloro-3-methoxypropan-2-yl)pyrimidin-4-amine
CID 106181660
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
CID 65029483
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
CID 133380785
5-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 61463582
2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine
CID 65192789
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
2-N-(1-methoxybutan-2-yl)-5-N,5-N-dimethylpyridine-2,5-diamine
CID 115921521
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
(2R,4S)-4-[(5-bromo-2-pyridinyl)amino]-2-methylhexan-1-ol
CID 97025562

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine (CID 106181473) is 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine is COCC(CCl)Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine?
The InChIKey is LUCASUDVTKDXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O/c1-14-6-8(4-11)13-9-3-2-7(10)5-12-9/h2-3,5,8H,4,6H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine?
5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine has a molecular weight of 279.56 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 106181473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).