[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine

C13H12BrF2N3O — CID 106945571

IUPAC[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
SMILESCOc1ncccc1C(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H12BrF2N3O/c1-20-13-7(3-2-6-18-13)12(19-17)10-9(15)5-4-8(14)11(10)16/h2-6,12,19H,17H2,1H3
InChIKeyQHAJPJWPPQXMQA-UHFFFAOYSA-N
MW344.16 g/mol
LogP2.68
Rot. Bonds4

About [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine

[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine (PubChem CID 106945571) has the molecular formula C13H12BrF2N3O and a molecular weight of 344.16 g/mol. Its IUPAC name is [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
PubChem CID106945571
Molecular FormulaC13H12BrF2N3O
Molecular Weight344.16 g/mol
Exact Mass343.01
IUPAC Name[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
SMILESCOc1ncccc1C(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H12BrF2N3O/c1-20-13-7(3-2-6-18-13)12(19-17)10-9(15)5-4-8(14)11(10)16/h2-6,12,19H,17H2,1H3
InChIKeyQHAJPJWPPQXMQA-UHFFFAOYSA-N
XLogP2.68
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-chloro-6-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 114275504
1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175874
[(4-bromothiophen-3-yl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 105322608
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106945408
2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline
CID 106945317
[(3-bromo-2,6-difluorophenyl)-(2-chloro-3-methylphenyl)methyl]hydrazine
CID 106945494
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
[(2-methoxy-3-pyridinyl)-(4-methylphenyl)methyl]hydrazine
CID 105285352
[furan-2-yl-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 105306021
[(3-bromo-2-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 106649829
[(3,5-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 105286727

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine (CID 106945571) is [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine is COc1ncccc1C(NN)c1c(F)ccc(Br)c1F.
What is the InChIKey of [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine?
The InChIKey is QHAJPJWPPQXMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O/c1-20-13-7(3-2-6-18-13)12(19-17)10-9(15)5-4-8(14)11(10)16/h2-6,12,19H,17H2,1H3.
What are the key properties of [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine?
[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine has a molecular weight of 344.16 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 106945571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).