3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine

C11H12BrClN2 — CID 114835973

IUPAC3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
SMILESClc1cnc(NC2CC=CCC2)c(Br)c1
InChIInChI=1S/C11H12BrClN2/c12-10-6-8(13)7-14-11(10)15-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5H2,(H,14,15)
InChIKeyIHTKPRKINVKQFC-UHFFFAOYSA-N
MW287.59 g/mol
LogP4.02
Rot. Bonds2

About 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine

3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine (PubChem CID 114835973) has the molecular formula C11H12BrClN2 and a molecular weight of 287.59 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
PubChem CID114835973
Molecular FormulaC11H12BrClN2
Molecular Weight287.59 g/mol
Exact Mass285.99
IUPAC Name3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
SMILESClc1cnc(NC2CC=CCC2)c(Br)c1
InChIInChI=1S/C11H12BrClN2/c12-10-6-8(13)7-14-11(10)15-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5H2,(H,14,15)
InChIKeyIHTKPRKINVKQFC-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.59
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol
CID 164654299
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492
4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
CID 107143665
3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine
CID 114838596
3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine
CID 130556048
5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
CID 130540607
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-bromo-2-N-cyclobutylpyridine-2,5-diamine
CID 79535634
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
CID 131154421
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine (CID 114835973) is 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine is Clc1cnc(NC2CC=CCC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine?
The InChIKey is IHTKPRKINVKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2/c12-10-6-8(13)7-14-11(10)15-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5H2,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine?
3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine has a molecular weight of 287.59 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine is sourced from PubChem (CID 114835973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).