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

C11H16BrClN2 — CID 106329478

IUPAC3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(C)(CC)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2/c1-4-11(3,5-2)15-10-9(12)6-8(13)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyWUKUWKGVKCZSDE-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.49
Rot. Bonds4

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

3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine (PubChem CID 106329478) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
PubChem CID106329478
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(C)(CC)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2/c1-4-11(3,5-2)15-10-9(12)6-8(13)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyWUKUWKGVKCZSDE-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 114835868
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185235
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 114836148
5-bromo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106329876
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine
CID 79734278
5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329358
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130965117
N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114835871

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine (CID 106329478) is 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine is CCC(C)(CC)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The InChIKey is WUKUWKGVKCZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-4-11(3,5-2)15-10-9(12)6-8(13)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine?
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine has a molecular weight of 291.62 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine is sourced from PubChem (CID 106329478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).