[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine

C14H16ClN3O — CID 79232634

IUPAC[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(OCc2cccc(NN)n2)cc(C)c1Cl
InChIInChI=1S/C14H16ClN3O/c1-9-6-12(7-10(2)14(9)15)19-8-11-4-3-5-13(17-11)18-16/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyKXULZDIPHDDYDK-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.22
Rot. Bonds4

About [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine

[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 79232634) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID79232634
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(OCc2cccc(NN)n2)cc(C)c1Cl
InChIInChI=1S/C14H16ClN3O/c1-9-6-12(7-10(2)14(9)15)19-8-11-4-3-5-13(17-11)18-16/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyKXULZDIPHDDYDK-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

[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 83140991
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
[6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]hydrazine
CID 80916249
[6-[(4-tert-butyl-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232587
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 79232593
[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233690
3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile
CID 79234453
[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231511
[6-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103290222
[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103589474
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736
[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231223

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine (CID 79232634) is [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine is Cc1cc(OCc2cccc(NN)n2)cc(C)c1Cl.
What is the InChIKey of [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is KXULZDIPHDDYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-6-12(7-10(2)14(9)15)19-8-11-4-3-5-13(17-11)18-16/h3-7H,8,16H2,1-2H3,(H,17,18).
What are the key properties of [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine?
[6-[(4-chloro-3,5-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 [6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79232634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).