3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine

C11H16BrClN2 — CID 114836698

IUPAC3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
SMILESCCC(C)N(CC)c1ncc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2/c1-4-8(3)15(5-2)11-10(12)6-9(13)7-14-11/h6-8H,4-5H2,1-3H3
InChIKeyHRKQUCSBGFZUKK-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.12
Rot. Bonds4

About 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine

3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine (PubChem CID 114836698) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
PubChem CID114836698
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
SMILESCCC(C)N(CC)c1ncc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2/c1-4-8(3)15(5-2)11-10(12)6-9(13)7-14-11/h6-8H,4-5H2,1-3H3
InChIKeyHRKQUCSBGFZUKK-UHFFFAOYSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
CID 114838597
5-bromo-N-butan-2-yl-3-(chloromethyl)-N-ethylpyridin-2-amine
CID 62000746
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114835463
2-N-(3,5-dibromo-2-pyridinyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190681
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine (CID 114836698) is 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine is CCC(C)N(CC)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine?
The InChIKey is HRKQUCSBGFZUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-4-8(3)15(5-2)11-10(12)6-9(13)7-14-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine?
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine has a molecular weight of 291.62 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine is sourced from PubChem (CID 114836698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).