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

C10H13BrCl2N2O — CID 103584084

IUPAC5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCC(Cl)CN(C)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H13BrCl2N2O/c1-15(5-8(12)6-16-2)10-9(13)3-7(11)4-14-10/h3-4,8H,5-6H2,1-2H3
InChIKeyHDIMISPIGBCLLG-UHFFFAOYSA-N
MW328.04 g/mol
LogP3.19
Rot. Bonds5

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

5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine (PubChem CID 103584084) has the molecular formula C10H13BrCl2N2O and a molecular weight of 328.04 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
PubChem CID103584084
Molecular FormulaC10H13BrCl2N2O
Molecular Weight328.04 g/mol
Exact Mass325.96
IUPAC Name5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCC(Cl)CN(C)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H13BrCl2N2O/c1-15(5-8(12)6-16-2)10-9(13)3-7(11)4-14-10/h3-4,8H,5-6H2,1-2H3
InChIKeyHDIMISPIGBCLLG-UHFFFAOYSA-N
XLogP3.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-5-chloropyridin-2-amine
CID 2763971
N-(5-Bromo-3-chloro-pyridin-2-yl)-guanidine
CID 9816370
N-(3-Bromo-5-chloro-pyridin-2-yl)-guanidine
CID 10131165
5-Bromo-3-chloropyridin-2-amine
CID 12370669
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
(2S)-2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 86818054
5-bromo-3-chloro-N,N-dimethylpyridin-2-amine
CID 82476283
2-Morpholino-3-chloro(bromo)pyridine
CID 129787374
3-Bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one
CID 154630722
2-[[(3,5-Dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol
CID 100760254
(2S)-1-[(5-bromo-3-chloro-2-pyridinyl)amino]propan-2-ol
CID 130878694
3,5-dichloro-2-[(3S)-3-methoxypyrrolidin-1-yl]pyridine
CID 137978332

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine (CID 103584084) is 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine is COCC(Cl)CN(C)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine?
The InChIKey is HDIMISPIGBCLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrCl2N2O/c1-15(5-8(12)6-16-2)10-9(13)3-7(11)4-14-10/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine?
5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine has a molecular weight of 328.04 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 103584084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).