bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine

C11H14BrNOZn — CID 157045422

IUPACbromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine
SMILESCc1cc(C2C[CH-]CCO2)ccn1.[Zn+]Br
InChIInChI=1S/C11H14NO.BrH.Zn/c1-9-8-10(5-6-12-9)11-4-2-3-7-13-11;;/h2,5-6,8,11H,3-4,7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyNDJGIOBGIZFQGP-UHFFFAOYSA-M
MW321.53 g/mol
LogP3.29
Rot. Bonds1

About bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine

bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine (PubChem CID 157045422) has the molecular formula C11H14BrNOZn and a molecular weight of 321.53 g/mol. Its IUPAC name is bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine.

Molecular Properties

Compound Namebromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine
PubChem CID157045422
Molecular FormulaC11H14BrNOZn
Molecular Weight321.53 g/mol
Exact Mass318.96
IUPAC Namebromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine
SMILESCc1cc(C2C[CH-]CCO2)ccn1.[Zn+]Br
InChIInChI=1S/C11H14NO.BrH.Zn/c1-9-8-10(5-6-12-9)11-4-2-3-7-13-11;;/h2,5-6,8,11H,3-4,7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyNDJGIOBGIZFQGP-UHFFFAOYSA-M
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine
CID 166561626
(2S,6R)-2-methyl-6-(2-methyl-4-pyridinyl)morpholine
CID 170711883
1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc
CID 175423352
2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholine
CID 176657242
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124988564
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124953622
1-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110102640

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine?
The IUPAC name of bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine (CID 157045422) is bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine.
What is the SMILES notation for bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine?
The canonical SMILES for bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine is Cc1cc(C2C[CH-]CCO2)ccn1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine?
The InChIKey is NDJGIOBGIZFQGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14NO.BrH.Zn/c1-9-8-10(5-6-12-9)11-4-2-3-7-13-11;;/h2,5-6,8,11H,3-4,7H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine?
bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine has a molecular weight of 321.53 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridine is sourced from PubChem (CID 157045422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).