[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine

C14H16ClN3O — CID 55075282

IUPAC[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(Cl)cc(C)c1OCc1cccnc1NN
InChIInChI=1S/C14H16ClN3O/c1-9-6-12(15)7-10(2)13(9)19-8-11-4-3-5-17-14(11)18-16/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyOPQGLURLUNGZTF-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.22
Rot. Bonds4

About [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine

[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 55075282) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID55075282
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(Cl)cc(C)c1OCc1cccnc1NN
InChIInChI=1S/C14H16ClN3O/c1-9-6-12(15)7-10(2)13(9)19-8-11-4-3-5-17-14(11)18-16/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyOPQGLURLUNGZTF-UHFFFAOYSA-N
XLogP3.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.22
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-[(4-chloro-2,6-dimethylphenoxy)methyl]pyridine-2-carbothioamide
CID 62895481
[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 107285501
[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 63184291
[3-[(4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465552
4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278
N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
CID 63485474
[3-[2-(2-methylpropoxy)ethoxymethyl]-2-pyridinyl]hydrazine
CID 106449351
N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297778
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172479
[3-[(4,4-dimethylcyclohexyl)oxymethyl]-2-pyridinyl]hydrazine
CID 114342247
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62450029
3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464069

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine (CID 55075282) is [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine is Cc1cc(Cl)cc(C)c1OCc1cccnc1NN.
What is the InChIKey of [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is OPQGLURLUNGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-6-12(15)7-10(2)13(9)19-8-11-4-3-5-17-14(11)18-16/h3-7H,8,16H2,1-2H3,(H,17,18).
What are the key properties of [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine?
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 277.75 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 55075282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).