2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine

C10H16BrN3 — CID 65192789

IUPAC2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine
SMILESCCCC(CN)Nc1ccc(Br)cn1
InChIInChI=1S/C10H16BrN3/c1-2-3-9(6-12)14-10-5-4-8(11)7-13-10/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyIFIFPAHTPULXLW-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.38
Rot. Bonds5

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

2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine (PubChem CID 65192789) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine
PubChem CID65192789
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine
SMILESCCCC(CN)Nc1ccc(Br)cn1
InChIInChI=1S/C10H16BrN3/c1-2-3-9(6-12)14-10-5-4-8(11)7-13-10/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyIFIFPAHTPULXLW-UHFFFAOYSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine
CID 114280858
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
2-N-(6-chloropyridazin-3-yl)pentane-1,2-diamine
CID 65192529
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
5-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 61463582
(2R,4S)-4-[(5-bromo-2-pyridinyl)amino]-2-methylhexan-1-ol
CID 97025562
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine (CID 65192789) is 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine is CCCC(CN)Nc1ccc(Br)cn1.
What is the InChIKey of 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine?
The InChIKey is IFIFPAHTPULXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-2-3-9(6-12)14-10-5-4-8(11)7-13-10/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,14).
What are the key properties of 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine?
2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine has a molecular weight of 258.16 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine is sourced from PubChem (CID 65192789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).