6-bromo-N-(4-methoxybutyl)pyridin-2-amine

C10H15BrN2O — CID 63963664

IUPAC6-bromo-N-(4-methoxybutyl)pyridin-2-amine
SMILESCOCCCCNc1cccc(Br)n1
InChIInChI=1S/C10H15BrN2O/c1-14-8-3-2-7-12-10-6-4-5-9(11)13-10/h4-6H,2-3,7-8H2,1H3,(H,12,13)
InChIKeyCKVKZDNTUYLFLV-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.68
Rot. Bonds6

About 6-bromo-N-(4-methoxybutyl)pyridin-2-amine

6-bromo-N-(4-methoxybutyl)pyridin-2-amine (PubChem CID 63963664) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-methoxybutyl)pyridin-2-amine
PubChem CID63963664
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name6-bromo-N-(4-methoxybutyl)pyridin-2-amine
SMILESCOCCCCNc1cccc(Br)n1
InChIInChI=1S/C10H15BrN2O/c1-14-8-3-2-7-12-10-6-4-5-9(11)13-10/h4-6H,2-3,7-8H2,1H3,(H,12,13)
InChIKeyCKVKZDNTUYLFLV-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 80647839
6-bromo-N-(2-ethoxyethyl)pyridin-2-amine
CID 63962795
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
CID 63961528
6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine
CID 18771920
2-bromo-N-(4-methoxybutyl)aniline
CID 115735649
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxybutyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(4-methoxybutyl)pyridin-2-amine (CID 63963664) is 6-bromo-N-(4-methoxybutyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(4-methoxybutyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(4-methoxybutyl)pyridin-2-amine is COCCCCNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(4-methoxybutyl)pyridin-2-amine?
The InChIKey is CKVKZDNTUYLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-14-8-3-2-7-12-10-6-4-5-9(11)13-10/h4-6H,2-3,7-8H2,1H3,(H,12,13).
What are the key properties of 6-bromo-N-(4-methoxybutyl)pyridin-2-amine?
6-bromo-N-(4-methoxybutyl)pyridin-2-amine has a molecular weight of 259.15 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxybutyl)pyridin-2-amine is sourced from PubChem (CID 63963664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).