[(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine

C11H12BrN3OS — CID 105222663

IUPAC[(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
SMILESCOc1cncc(C(NN)c2cc(Br)cs2)c1
InChIInChI=1S/C11H12BrN3OS/c1-16-9-2-7(4-14-5-9)11(15-13)10-3-8(12)6-17-10/h2-6,11,15H,13H2,1H3
InChIKeyDIHWELKISLZZSO-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.47
Rot. Bonds4

About [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine

[(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine (PubChem CID 105222663) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
PubChem CID105222663
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name[(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
SMILESCOc1cncc(C(NN)c2cc(Br)cs2)c1
InChIInChI=1S/C11H12BrN3OS/c1-16-9-2-7(4-14-5-9)11(15-13)10-3-8(12)6-17-10/h2-6,11,15H,13H2,1H3
InChIKeyDIHWELKISLZZSO-UHFFFAOYSA-N
XLogP2.47
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(3,5-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329847
[(5-bromo-3-pyridinyl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105251245
[(5-methoxy-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105329816
[(2-bromophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105208806
[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329820
[(2-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105191302
[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397557
[(4-bromothiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105222534
1-(3-bromothiophen-2-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025777
[(4-bromothiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105222445
[(3-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105193182
[(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330550

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine (CID 105222663) is [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine is COc1cncc(C(NN)c2cc(Br)cs2)c1.
What is the InChIKey of [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The InChIKey is DIHWELKISLZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-16-9-2-7(4-14-5-9)11(15-13)10-3-8(12)6-17-10/h2-6,11,15H,13H2,1H3.
What are the key properties of [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
[(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine has a molecular weight of 314.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105222663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).