(6-bromo-3-pyridinyl)methanamine

C6H7BrN2 — CID 22450529

IUPAC(6-bromo-3-pyridinyl)methanamine
SMILESNCc1ccc(Br)nc1
InChIInChI=1S/C6H7BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
InChIKeyAMCICDDTKARWJB-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.30
Rot. Bonds1

About (6-bromo-3-pyridinyl)methanamine

(6-bromo-3-pyridinyl)methanamine (PubChem CID 22450529) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)methanamine
PubChem CID22450529
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name(6-bromo-3-pyridinyl)methanamine
SMILESNCc1ccc(Br)nc1
InChIInChI=1S/C6H7BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
InChIKeyAMCICDDTKARWJB-UHFFFAOYSA-N
XLogP1.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-bromo-3-pyridinyl)methylhydrazine
CID 53416663
2-(6-bromo-3-pyridinyl)ethanol
CID 22473220
2-bromo-5-(2-chloroethyl)pyridine
CID 130116129
2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine
CID 158518728
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
2-bromo-5-pentylpyridine
CID 170248675
4-(6-bromo-3-pyridinyl)butan-1-ol
CID 87305203
N'-[(6-bromo-3-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 66568578
5-(azidomethyl)-2-bromopyridine
CID 151178829
3-(6-bromo-3-pyridinyl)-2-methylpropan-1-ol
CID 87844869
[6-(2-methylpropyl)-3-pyridinyl]methanamine
CID 53274665
2-bromo-5-(4-methoxybutyl)pyridine
CID 162151692

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)methanamine?
The IUPAC name of (6-bromo-3-pyridinyl)methanamine (CID 22450529) is (6-bromo-3-pyridinyl)methanamine.
What is the SMILES notation for (6-bromo-3-pyridinyl)methanamine?
The canonical SMILES for (6-bromo-3-pyridinyl)methanamine is NCc1ccc(Br)nc1.
What is the InChIKey of (6-bromo-3-pyridinyl)methanamine?
The InChIKey is AMCICDDTKARWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2.
What are the key properties of (6-bromo-3-pyridinyl)methanamine?
(6-bromo-3-pyridinyl)methanamine has a molecular weight of 187.04 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)methanamine is sourced from PubChem (CID 22450529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).