5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine

C11H13BrN2 — CID 106231323

IUPAC5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CC)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C11H13BrN2/c1-4-9(5-2)14-11-7-6-10(12)8(3)13-11/h1,6-7,9H,5H2,2-3H3,(H,13,14)
InChIKeyABRMNEKWTPRBRE-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.98
Rot. Bonds3

About 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine

5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine (PubChem CID 106231323) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine
PubChem CID106231323
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CC)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C11H13BrN2/c1-4-9(5-2)14-11-7-6-10(12)8(3)13-11/h1,6-7,9H,5H2,2-3H3,(H,13,14)
InChIKeyABRMNEKWTPRBRE-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106232727
2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
CID 106231260
5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine
CID 103915071
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548
3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine
CID 106231233
6-bromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106232839
5-bromo-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 103578187
4-bromo-N-pent-1-yn-3-yl-3-(trifluoromethyl)aniline
CID 113482494
2-N-pent-1-yn-3-ylpyridine-2,4-diamine
CID 106233105
5-bromo-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 103578161
5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine
CID 115148250
6-bromo-2-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
CID 106233091

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine (CID 106231323) is 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine is C#CC(CC)Nc1ccc(Br)c(C)n1.
What is the InChIKey of 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine?
The InChIKey is ABRMNEKWTPRBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-4-9(5-2)14-11-7-6-10(12)8(3)13-11/h1,6-7,9H,5H2,2-3H3,(H,13,14).
What are the key properties of 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine?
5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine has a molecular weight of 253.14 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine is sourced from PubChem (CID 106231323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).