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

C10H13BrCl2N2 — CID 114838625

IUPAC3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
SMILESCC(Cl)CCN(C)c1ncc(Cl)cc1Br
InChIInChI=1S/C10H13BrCl2N2/c1-7(12)3-4-15(2)10-9(11)5-8(13)6-14-10/h5-7H,3-4H2,1-2H3
InChIKeyIQEGIYTWOIOKAH-UHFFFAOYSA-N
MW312.04 g/mol
LogP3.95
Rot. Bonds4

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

3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine (PubChem CID 114838625) has the molecular formula C10H13BrCl2N2 and a molecular weight of 312.04 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
PubChem CID114838625
Molecular FormulaC10H13BrCl2N2
Molecular Weight312.04 g/mol
Exact Mass309.96
IUPAC Name3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
SMILESCC(Cl)CCN(C)c1ncc(Cl)cc1Br
InChIInChI=1S/C10H13BrCl2N2/c1-7(12)3-4-15(2)10-9(11)5-8(13)6-14-10/h5-7H,3-4H2,1-2H3
InChIKeyIQEGIYTWOIOKAH-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.04
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114838298
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
CID 114838597
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide
CID 104979865
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 114836828
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114835463
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 114837069
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine (CID 114838625) is 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine is CC(Cl)CCN(C)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine?
The InChIKey is IQEGIYTWOIOKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrCl2N2/c1-7(12)3-4-15(2)10-9(11)5-8(13)6-14-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine?
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine has a molecular weight of 312.04 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114838625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).