3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine

C9H14BrN3 — CID 83180583

IUPAC3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
SMILESCC(CCN)Nc1ccc(Br)cn1
InChIInChI=1S/C9H14BrN3/c1-7(4-5-11)13-9-3-2-8(10)6-12-9/h2-3,6-7H,4-5,11H2,1H3,(H,12,13)
InChIKeyDXBPNYNYHJXLLW-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.99
Rot. Bonds4

About 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine

3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine (PubChem CID 83180583) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
PubChem CID83180583
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
SMILESCC(CCN)Nc1ccc(Br)cn1
InChIInChI=1S/C9H14BrN3/c1-7(4-5-11)13-9-3-2-8(10)6-12-9/h2-3,6-7H,4-5,11H2,1H3,(H,12,13)
InChIKeyDXBPNYNYHJXLLW-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine
CID 116970760
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979
2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine
CID 65192789
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
3-N-pyrimidin-4-ylbutane-1,3-diamine
CID 83178912
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
5-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 61463582
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine?
The IUPAC name of 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine (CID 83180583) is 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine?
The canonical SMILES for 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine is CC(CCN)Nc1ccc(Br)cn1.
What is the InChIKey of 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine?
The InChIKey is DXBPNYNYHJXLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-7(4-5-11)13-9-3-2-8(10)6-12-9/h2-3,6-7H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine?
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine has a molecular weight of 244.14 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine is sourced from PubChem (CID 83180583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).