6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine

C11H15BrN2O — CID 63960908

IUPAC6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESBrc1cccc(NCC2CCCOC2)n1
InChIInChI=1S/C11H15BrN2O/c12-10-4-1-5-11(14-10)13-7-9-3-2-6-15-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,14)
InChIKeyZDLXODYSCABSAC-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.68
Rot. Bonds3

About 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine

6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 63960908) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID63960908
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESBrc1cccc(NCC2CCCOC2)n1
InChIInChI=1S/C11H15BrN2O/c12-10-4-1-5-11(14-10)13-7-9-3-2-6-15-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,14)
InChIKeyZDLXODYSCABSAC-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(cyclopentylmethyl)pyridin-2-amine
CID 63963007
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine
CID 76740997
6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine
CID 130775007
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
N-(oxan-3-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 103204139
2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80954111
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
N-(oxan-3-ylmethyl)quinazolin-2-amine
CID 114788931

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 63960908) is 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine is Brc1cccc(NCC2CCCOC2)n1.
What is the InChIKey of 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is ZDLXODYSCABSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-4-1-5-11(14-10)13-7-9-3-2-6-15-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,14).
What are the key properties of 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine?
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 63960908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).