6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine

C8H8BrClN2 — CID 106195547

IUPAC6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine
SMILESC=C(Cl)CNc1cccc(Br)n1
InChIInChI=1S/C8H8BrClN2/c1-6(10)5-11-8-4-2-3-7(9)12-8/h2-4H,1,5H2,(H,11,12)
InChIKeyJAXRGPZNSJHTNB-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.01
Rot. Bonds3

About 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine

6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine (PubChem CID 106195547) has the molecular formula C8H8BrClN2 and a molecular weight of 247.52 g/mol. Its IUPAC name is 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine
PubChem CID106195547
Molecular FormulaC8H8BrClN2
Molecular Weight247.52 g/mol
Exact Mass245.96
IUPAC Name6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine
SMILESC=C(Cl)CNc1cccc(Br)n1
InChIInChI=1S/C8H8BrClN2/c1-6(10)5-11-8-4-2-3-7(9)12-8/h2-4H,1,5H2,(H,11,12)
InChIKeyJAXRGPZNSJHTNB-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine
CID 106195518
3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 115361912
1,2-bis(6-bromo-2-pyridinyl)hydrazine
CID 167065966
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
6-bromo-N-(2-ethoxyethyl)pyridin-2-amine
CID 63962795
N-(2-chloroprop-2-enyl)pyrido[2,3-b]pyrazin-6-amine
CID 115637254
6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine
CID 131242535
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154
1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107154989
6-bromo-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143626
6-bromo-N-(cyclopentylmethyl)pyridin-2-amine
CID 63963007

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine (CID 106195547) is 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine is C=C(Cl)CNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine?
The InChIKey is JAXRGPZNSJHTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2/c1-6(10)5-11-8-4-2-3-7(9)12-8/h2-4H,1,5H2,(H,11,12).
What are the key properties of 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine?
6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine has a molecular weight of 247.52 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 106195547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).