[(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine

C14H13BrClIN2O — CID 114027382

IUPAC[(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2cc(I)ccc2Br)ccc1Cl
InChIInChI=1S/C14H13BrClIN2O/c1-20-13-6-8(2-5-12(13)16)14(19-18)10-7-9(17)3-4-11(10)15/h2-7,14,19H,18H2,1H3
InChIKeyBKVDMFSAIISIKS-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.27
Rot. Bonds4

About [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine

[(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine (PubChem CID 114027382) has the molecular formula C14H13BrClIN2O and a molecular weight of 467.53 g/mol. Its IUPAC name is [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
PubChem CID114027382
Molecular FormulaC14H13BrClIN2O
Molecular Weight467.53 g/mol
Exact Mass465.89
IUPAC Name[(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2cc(I)ccc2Br)ccc1Cl
InChIInChI=1S/C14H13BrClIN2O/c1-20-13-6-8(2-5-12(13)16)14(19-18)10-7-9(17)3-4-11(10)15/h2-7,14,19H,18H2,1H3
InChIKeyBKVDMFSAIISIKS-UHFFFAOYSA-N
XLogP4.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-bromo-5-fluorophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320841
1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 105007156
[(4-chloro-3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105199196
[(4-bromo-3-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 105304535
[(3-bromo-5-methylphenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320733
[(4-chloro-3-methoxyphenyl)-(3-chloro-4-pyridinyl)methyl]hydrazine
CID 105320814
[(4-chloro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258314
[(4-chloro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204007
[(4-chloro-3-methoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105320725
[(4-chloro-3-methoxyphenyl)-(2-ethylphenyl)methyl]hydrazine
CID 105320852
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine
CID 103524744

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine (CID 114027382) is [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine is COc1cc(C(NN)c2cc(I)ccc2Br)ccc1Cl.
What is the InChIKey of [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine?
The InChIKey is BKVDMFSAIISIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClIN2O/c1-20-13-6-8(2-5-12(13)16)14(19-18)10-7-9(17)3-4-11(10)15/h2-7,14,19H,18H2,1H3.
What are the key properties of [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine?
[(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine has a molecular weight of 467.53 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 114027382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).