3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine

C11H15BrCl2N2 — CID 114838487

IUPAC3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
SMILESCC(C)CC(CCl)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H15BrCl2N2/c1-7(2)3-9(5-13)16-11-10(12)4-8(14)6-15-11/h4,6-7,9H,3,5H2,1-2H3,(H,15,16)
InChIKeyHSLIUHUDUBXCGZ-UHFFFAOYSA-N
MW326.07 g/mol
LogP4.56
Rot. Bonds5

About 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine

3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine (PubChem CID 114838487) has the molecular formula C11H15BrCl2N2 and a molecular weight of 326.07 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
PubChem CID114838487
Molecular FormulaC11H15BrCl2N2
Molecular Weight326.07 g/mol
Exact Mass323.98
IUPAC Name3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
SMILESCC(C)CC(CCl)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H15BrCl2N2/c1-7(2)3-9(5-13)16-11-10(12)4-8(14)6-15-11/h4,6-7,9H,3,5H2,1-2H3,(H,15,16)
InChIKeyHSLIUHUDUBXCGZ-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.07
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 114836303
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785
3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
CID 114838511
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine
CID 65030297
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
CID 114835671
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine (CID 114838487) is 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine is CC(C)CC(CCl)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine?
The InChIKey is HSLIUHUDUBXCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrCl2N2/c1-7(2)3-9(5-13)16-11-10(12)4-8(14)6-15-11/h4,6-7,9H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine?
3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine has a molecular weight of 326.07 g/mol, XLogP of 4.56, 5 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-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine is sourced from PubChem (CID 114838487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).