5-bromo-N-pentan-3-ylpyridin-2-amine

C10H15BrN2 — CID 28553670

IUPAC5-bromo-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)Nc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2/c1-3-9(4-2)13-10-6-5-8(11)7-12-10/h5-7,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyHEXWGJZZJPYMHD-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-N-pentan-3-ylpyridin-2-amine

5-bromo-N-pentan-3-ylpyridin-2-amine (PubChem CID 28553670) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-bromo-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-pentan-3-ylpyridin-2-amine
PubChem CID28553670
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-bromo-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)Nc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2/c1-3-9(4-2)13-10-6-5-8(11)7-12-10/h5-7,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyHEXWGJZZJPYMHD-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-pentan-3-ylpyridin-2-amine (CID 28553670) is 5-bromo-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-pentan-3-ylpyridin-2-amine is CCC(CC)Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-pentan-3-ylpyridin-2-amine?
The InChIKey is HEXWGJZZJPYMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-3-9(4-2)13-10-6-5-8(11)7-12-10/h5-7,9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-pentan-3-ylpyridin-2-amine?
5-bromo-N-pentan-3-ylpyridin-2-amine has a molecular weight of 243.15 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 28553670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).