[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine

C12H14BrN3O — CID 107504907

IUPAC[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2occc2Br)cc(C)n1
InChIInChI=1S/C12H14BrN3O/c1-7-5-9(6-8(2)15-7)11(16-14)12-10(13)3-4-17-12/h3-6,11,16H,14H2,1-2H3
InChIKeyJBOLLGZBIHATGC-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.61
Rot. Bonds3

About [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine

[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine (PubChem CID 107504907) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
PubChem CID107504907
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2occc2Br)cc(C)n1
InChIInChI=1S/C12H14BrN3O/c1-7-5-9(6-8(2)15-7)11(16-14)12-10(13)3-4-17-12/h3-6,11,16H,14H2,1-2H3
InChIKeyJBOLLGZBIHATGC-UHFFFAOYSA-N
XLogP2.61
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-bromofuran-2-yl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105309165
1-(3-bromofuran-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755358
[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504847
[(3-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methyl]hydrazine
CID 106859943
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline
CID 105263648
[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105309112
[(5-bromo-2-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105280775
[(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221184
(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
CID 105150602
[(3-bromofuran-2-yl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251639
[(3-bromofuran-2-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263950

Frequently Asked Questions

What is the IUPAC name of [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine?
The IUPAC name of [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine (CID 107504907) is [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine is Cc1cc(C(NN)c2occc2Br)cc(C)n1.
What is the InChIKey of [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine?
The InChIKey is JBOLLGZBIHATGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-7-5-9(6-8(2)15-7)11(16-14)12-10(13)3-4-17-12/h3-6,11,16H,14H2,1-2H3.
What are the key properties of [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine?
[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine has a molecular weight of 296.17 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 107504907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).