6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine

C12H16BrClN2O — CID 58284562

IUPAC6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1ccc(Cl)c(Br)n1)C1CCOCC1
InChIInChI=1S/C12H16BrClN2O/c1-8(9-4-6-17-7-5-9)15-11-3-2-10(14)12(13)16-11/h2-3,8-9H,4-7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyCRNYIFLADAHDFF-QMMMGPOBSA-N
MW319.63 g/mol
LogP3.72
Rot. Bonds3

About 6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine

6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine (PubChem CID 58284562) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
PubChem CID58284562
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1ccc(Cl)c(Br)n1)C1CCOCC1
InChIInChI=1S/C12H16BrClN2O/c1-8(9-4-6-17-7-5-9)15-11-3-2-10(14)12(13)16-11/h2-3,8-9H,4-7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyCRNYIFLADAHDFF-QMMMGPOBSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.72
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-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine (CID 58284562) is 6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine is C[C@H](Nc1ccc(Cl)c(Br)n1)C1CCOCC1.
What is the InChIKey of 6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine?
The InChIKey is CRNYIFLADAHDFF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-8(9-4-6-17-7-5-9)15-11-3-2-10(14)12(13)16-11/h2-3,8-9H,4-7H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine?
6-bromo-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine has a molecular weight of 319.63 g/mol, XLogP of 3.72, 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-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 58284562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).