1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C9H9BrN4O — CID 106392443

IUPAC1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2ncon2)n1
InChIInChI=1S/C9H9BrN4O/c10-8-3-1-2-7(13-8)4-11-5-9-12-6-15-14-9/h1-3,6,11H,4-5H2
InChIKeyFKXSKCOFSVOBKB-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.52
Rot. Bonds4

About 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106392443) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106392443
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2ncon2)n1
InChIInChI=1S/C9H9BrN4O/c10-8-3-1-2-7(13-8)4-11-5-9-12-6-15-14-9/h1-3,6,11H,4-5H2
InChIKeyFKXSKCOFSVOBKB-UHFFFAOYSA-N
XLogP1.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393956
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114183090
N-[(6-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400795
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine
CID 106392638
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
CID 106393813
N-[(6-bromo-2-pyridinyl)methyl]-1-(4-chlorophenyl)methanamine
CID 112581883
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503
1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 112582414
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
CID 106392234
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698840
1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112582362

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106392443) is 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is Brc1cccc(CNCc2ncon2)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is FKXSKCOFSVOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c10-8-3-1-2-7(13-8)4-11-5-9-12-6-15-14-9/h1-3,6,11H,4-5H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 269.10 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106392443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).