5-bromo-N-pent-4-ynylpyridin-2-amine

C10H11BrN2 — CID 103704439

IUPAC5-bromo-N-pent-4-ynylpyridin-2-amine
SMILESC#CCCCNc1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2/c1-2-3-4-7-12-10-6-5-9(11)8-13-10/h1,5-6,8H,3-4,7H2,(H,12,13)
InChIKeyRNOCLMYJIASSOS-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-N-pent-4-ynylpyridin-2-amine

5-bromo-N-pent-4-ynylpyridin-2-amine (PubChem CID 103704439) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 5-bromo-N-pent-4-ynylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-pent-4-ynylpyridin-2-amine
PubChem CID103704439
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name5-bromo-N-pent-4-ynylpyridin-2-amine
SMILESC#CCCCNc1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2/c1-2-3-4-7-12-10-6-5-9(11)8-13-10/h1,5-6,8H,3-4,7H2,(H,12,13)
InChIKeyRNOCLMYJIASSOS-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

N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine
CID 103701794
N-pent-4-ynylpyridin-2-amine
CID 103704473
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 75421859
3-[(5-bromo-2-pyridinyl)amino]propyl hydrogen sulfite
CID 174853714
2-fluoro-N-pent-4-ynylpyrimidin-4-amine
CID 164645331
5-bromo-N-pent-4-ynylpyridin-3-amine
CID 103704408
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
CID 62040259

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pent-4-ynylpyridin-2-amine?
The IUPAC name of 5-bromo-N-pent-4-ynylpyridin-2-amine (CID 103704439) is 5-bromo-N-pent-4-ynylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-pent-4-ynylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-pent-4-ynylpyridin-2-amine is C#CCCCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-pent-4-ynylpyridin-2-amine?
The InChIKey is RNOCLMYJIASSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-2-3-4-7-12-10-6-5-9(11)8-13-10/h1,5-6,8H,3-4,7H2,(H,12,13).
What are the key properties of 5-bromo-N-pent-4-ynylpyridin-2-amine?
5-bromo-N-pent-4-ynylpyridin-2-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-2-amine is sourced from PubChem (CID 103704439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).