4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine

C10H11BrN2 — CID 170465339

IUPAC4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1ccc(Br)nc1
InChIInChI=1S/C10H11BrN2/c1-12-7-3-2-4-9-5-6-10(11)13-8-9/h5-6,8,12H,3,7H2,1H3
InChIKeySZTLHIDVZYGXAL-UHFFFAOYSA-N
MW239.12 g/mol
LogP1.81
Rot. Bonds2

About 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine

4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine (PubChem CID 170465339) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine.

Molecular Properties

Compound Name4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine
PubChem CID170465339
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1ccc(Br)nc1
InChIInChI=1S/C10H11BrN2/c1-12-7-3-2-4-9-5-6-10(11)13-8-9/h5-6,8,12H,3,7H2,1H3
InChIKeySZTLHIDVZYGXAL-UHFFFAOYSA-N
XLogP1.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-yn-1-amine
CID 170465208
4-[4-(methylamino)but-1-ynyl]phenol
CID 170463741
4-(3,4-dichlorophenyl)-N-methylbut-3-yn-1-amine
CID 170463870
[4-[4-(methylamino)but-1-ynyl]phenyl]methanol
CID 170463909
4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine
CID 164653647
N-methyl-4-[4-(2,2,2-trifluoroethoxy)phenyl]but-3-yn-1-amine
CID 170465158
4-(3H-benzimidazol-5-yl)-N-methylbut-3-yn-1-amine
CID 170464446
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
N-methyl-4-(1-methylpyrazol-4-yl)but-3-yn-1-amine
CID 170463709
5-[4-(methylamino)but-1-ynyl]-3-(trifluoromethyl)pyridin-2-amine
CID 170464899
2-fluoro-5-[4-(methylamino)but-1-ynyl]pyridine-3-carboxylic acid
CID 170464706
4-(3-bromo-5-chlorophenyl)-N-methylbut-3-yn-1-amine
CID 170465367

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine?
The IUPAC name of 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine (CID 170465339) is 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine is CNCCC#Cc1ccc(Br)nc1.
What is the InChIKey of 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine?
The InChIKey is SZTLHIDVZYGXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-12-7-3-2-4-9-5-6-10(11)13-8-9/h5-6,8,12H,3,7H2,1H3.
What are the key properties of 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine?
4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine has a molecular weight of 239.12 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine is sourced from PubChem (CID 170465339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).