5-bromo-N-pent-4-ynylpyridin-3-amine

C10H11BrN2 — CID 103704408

IUPAC5-bromo-N-pent-4-ynylpyridin-3-amine
SMILESC#CCCCNc1cncc(Br)c1
InChIInChI=1S/C10H11BrN2/c1-2-3-4-5-13-10-6-9(11)7-12-8-10/h1,6-8,13H,3-5H2
InChIKeyOEVHAWIIWIWLAQ-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-N-pent-4-ynylpyridin-3-amine

5-bromo-N-pent-4-ynylpyridin-3-amine (PubChem CID 103704408) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 5-bromo-N-pent-4-ynylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-pent-4-ynylpyridin-3-amine
PubChem CID103704408
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name5-bromo-N-pent-4-ynylpyridin-3-amine
SMILESC#CCCCNc1cncc(Br)c1
InChIInChI=1S/C10H11BrN2/c1-2-3-4-5-13-10-6-9(11)7-12-8-10/h1,6-8,13H,3-5H2
InChIKeyOEVHAWIIWIWLAQ-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
5-bromo-N-hexylpyridin-3-amine
CID 115656852
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
5-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103709015
5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
CID 100678145
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
3-bromo-4-methyl-N-pent-4-ynylaniline
CID 115871986
4-bromo-2-fluoro-N-pent-4-ynylaniline
CID 115871934
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine
CID 114194215
4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol
CID 115682875

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pent-4-ynylpyridin-3-amine?
The IUPAC name of 5-bromo-N-pent-4-ynylpyridin-3-amine (CID 103704408) is 5-bromo-N-pent-4-ynylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-pent-4-ynylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-pent-4-ynylpyridin-3-amine is C#CCCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-pent-4-ynylpyridin-3-amine?
The InChIKey is OEVHAWIIWIWLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-2-3-4-5-13-10-6-9(11)7-12-8-10/h1,6-8,13H,3-5H2.
What are the key properties of 5-bromo-N-pent-4-ynylpyridin-3-amine?
5-bromo-N-pent-4-ynylpyridin-3-amine has a molecular weight of 239.12 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pent-4-ynylpyridin-3-amine is sourced from PubChem (CID 103704408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).