5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine

C12H15BrN2O — CID 54757429

IUPAC5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine
SMILESCO[C@H]1C=CCC[C@@H]1Nc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O/c1-16-11-5-3-2-4-10(11)15-12-7-6-9(13)8-14-12/h3,5-8,10-11H,2,4H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyIMEJAIAJJIOSIE-QWRGUYRKSA-N
MW283.17 g/mol
LogP2.99
Rot. Bonds3

About 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine

5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine (PubChem CID 54757429) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine
PubChem CID54757429
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine
SMILESCO[C@H]1C=CCC[C@@H]1Nc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O/c1-16-11-5-3-2-4-10(11)15-12-7-6-9(13)8-14-12/h3,5-8,10-11H,2,4H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyIMEJAIAJJIOSIE-QWRGUYRKSA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine (CID 54757429) is 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine is CO[C@H]1C=CCC[C@@H]1Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine?
The InChIKey is IMEJAIAJJIOSIE-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-16-11-5-3-2-4-10(11)15-12-7-6-9(13)8-14-12/h3,5-8,10-11H,2,4H2,1H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine?
5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine has a molecular weight of 283.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine is sourced from PubChem (CID 54757429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).