6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine

C10H11BrN2 — CID 170465736

IUPAC6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine
SMILESCc1cc(N)cnc1C#CCCBr
InChIInChI=1S/C10H11BrN2/c1-8-6-9(12)7-13-10(8)4-2-3-5-11/h6-7H,3,5,12H2,1H3
InChIKeySJGZKFSHMJFXHD-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.11
Rot. Bonds1

About 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine

6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine (PubChem CID 170465736) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine
PubChem CID170465736
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine
SMILESCc1cc(N)cnc1C#CCCBr
InChIInChI=1S/C10H11BrN2/c1-8-6-9(12)7-13-10(8)4-2-3-5-11/h6-7H,3,5,12H2,1H3
InChIKeySJGZKFSHMJFXHD-UHFFFAOYSA-N
XLogP2.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine?
The IUPAC name of 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine (CID 170465736) is 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine.
What is the SMILES notation for 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine?
The canonical SMILES for 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine is Cc1cc(N)cnc1C#CCCBr.
What is the InChIKey of 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine?
The InChIKey is SJGZKFSHMJFXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-8-6-9(12)7-13-10(8)4-2-3-5-11/h6-7H,3,5,12H2,1H3.
What are the key properties of 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine?
6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine has a molecular weight of 239.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine is sourced from PubChem (CID 170465736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).