[(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate

C12H12BrNO2 — CID 125476983

IUPAC[(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate
SMILESO=C(O[C@@H]1CCCC=C1Br)c1ccccn1
InChIInChI=1S/C12H12BrNO2/c13-9-5-1-2-7-11(9)16-12(15)10-6-3-4-8-14-10/h3-6,8,11H,1-2,7H2/t11-/m1/s1
InChIKeyYXGULQQSPIQRAS-LLVKDONJSA-N
MW282.14 g/mol
LogP3.07
Rot. Bonds2

About [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate

[(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate (PubChem CID 125476983) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate
PubChem CID125476983
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name[(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate
SMILESO=C(O[C@@H]1CCCC=C1Br)c1ccccn1
InChIInChI=1S/C12H12BrNO2/c13-9-5-1-2-7-11(9)16-12(15)10-6-3-4-8-14-10/h3-6,8,11H,1-2,7H2/t11-/m1/s1
InChIKeyYXGULQQSPIQRAS-LLVKDONJSA-N
XLogP3.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl pyridine-2-carboxylate
CID 130016226
pyrrolidin-1-yl pyridine-2-carboxylate
CID 118695121
(2-bromophenyl) pyridine-2-carboxylate
CID 158339017
(1-cyclopropylcyclopropyl) pyridine-2-carboxylate
CID 71974826
(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
ethyl pyridine-2-carboxylate
CID 17307
oxiran-2-yl(pyridin-2-yl)methanone
CID 89057546
4-(pyridine-2-carbonyl)cyclohexan-1-one
CID 116920313
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate?
The IUPAC name of [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate (CID 125476983) is [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate?
The canonical SMILES for [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate is O=C(O[C@@H]1CCCC=C1Br)c1ccccn1.
What is the InChIKey of [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate?
The InChIKey is YXGULQQSPIQRAS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-9-5-1-2-7-11(9)16-12(15)10-6-3-4-8-14-10/h3-6,8,11H,1-2,7H2/t11-/m1/s1.
What are the key properties of [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate?
[(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate has a molecular weight of 282.14 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate is sourced from PubChem (CID 125476983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).