6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine

C11H14BrClN2O — CID 58127341

IUPAC6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESClc1ccc(NCC2CCOCC2)nc1Br
InChIInChI=1S/C11H14BrClN2O/c12-11-9(13)1-2-10(15-11)14-7-8-3-5-16-6-4-8/h1-2,8H,3-7H2,(H,14,15)
InChIKeyVVZHKPONXKLOEQ-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.34
Rot. Bonds3

About 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine

6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 58127341) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID58127341
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESClc1ccc(NCC2CCOCC2)nc1Br
InChIInChI=1S/C11H14BrClN2O/c12-11-9(13)1-2-10(15-11)14-7-8-3-5-16-6-4-8/h1-2,8H,3-7H2,(H,14,15)
InChIKeyVVZHKPONXKLOEQ-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 58127341) is 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine is Clc1ccc(NCC2CCOCC2)nc1Br.
What is the InChIKey of 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is VVZHKPONXKLOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c12-11-9(13)1-2-10(15-11)14-7-8-3-5-16-6-4-8/h1-2,8H,3-7H2,(H,14,15).
What are the key properties of 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 305.60 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 58127341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).