6-bromo-N-(3-methoxypropyl)pyridin-2-amine

C9H13BrN2O — CID 46739391

IUPAC6-bromo-N-(3-methoxypropyl)pyridin-2-amine
SMILESCOCCCNc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-13-7-3-6-11-9-5-2-4-8(10)12-9/h2,4-5H,3,6-7H2,1H3,(H,11,12)
InChIKeyUDZRXVMMKXMTRE-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.29
Rot. Bonds5

About 6-bromo-N-(3-methoxypropyl)pyridin-2-amine

6-bromo-N-(3-methoxypropyl)pyridin-2-amine (PubChem CID 46739391) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 6-bromo-N-(3-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methoxypropyl)pyridin-2-amine
PubChem CID46739391
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name6-bromo-N-(3-methoxypropyl)pyridin-2-amine
SMILESCOCCCNc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-13-7-3-6-11-9-5-2-4-8(10)12-9/h2,4-5H,3,6-7H2,1H3,(H,11,12)
InChIKeyUDZRXVMMKXMTRE-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.29
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-(4-methoxybutyl)pyridin-2-amine
CID 63963664
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
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
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-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372342
2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307016

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methoxypropyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(3-methoxypropyl)pyridin-2-amine (CID 46739391) is 6-bromo-N-(3-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(3-methoxypropyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(3-methoxypropyl)pyridin-2-amine is COCCCNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(3-methoxypropyl)pyridin-2-amine?
The InChIKey is UDZRXVMMKXMTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-13-7-3-6-11-9-5-2-4-8(10)12-9/h2,4-5H,3,6-7H2,1H3,(H,11,12).
What are the key properties of 6-bromo-N-(3-methoxypropyl)pyridin-2-amine?
6-bromo-N-(3-methoxypropyl)pyridin-2-amine has a molecular weight of 245.12 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 46739391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).