(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine

C9H11BrN2O — CID 168531018

IUPAC(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine
SMILESCOc1cc(C)c(Br)cc1C=NN
InChIInChI=1S/C9H11BrN2O/c1-6-3-9(13-2)7(5-12-11)4-8(6)10/h3-5H,11H2,1-2H3
InChIKeyFTWQTTZQODZCKO-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.06
Rot. Bonds2

About (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine

(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine (PubChem CID 168531018) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine
PubChem CID168531018
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine
SMILESCOc1cc(C)c(Br)cc1C=NN
InChIInChI=1S/C9H11BrN2O/c1-6-3-9(13-2)7(5-12-11)4-8(6)10/h3-5H,11H2,1-2H3
InChIKeyFTWQTTZQODZCKO-UHFFFAOYSA-N
XLogP2.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
2-methanehydrazonoyl-4-methoxy-3,6-dimethylphenol
CID 168529705
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530261
(6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine
CID 168529699
2-methanehydrazonoyl-4-methoxy-6-methylphenol
CID 168529679
4-bromo-2-methoxy-5-methylbenzenethiol
CID 130137178
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
O-(4-bromo-2,5-dimethylphenyl)hydroxylamine
CID 117273115
2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 139982922
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660994
(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530791
2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid
CID 168531416

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine (CID 168531018) is (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine is COc1cc(C)c(Br)cc1C=NN.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine?
The InChIKey is FTWQTTZQODZCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-3-9(13-2)7(5-12-11)4-8(6)10/h3-5H,11H2,1-2H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine?
(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine has a molecular weight of 243.10 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine is sourced from PubChem (CID 168531018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).