[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine

C16H20ClN3O — CID 115493212

IUPAC[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
SMILESCCCCc1ccc(OCc2nc(NN)ccc2Cl)cc1
InChIInChI=1S/C16H20ClN3O/c1-2-3-4-12-5-7-13(8-6-12)21-11-15-14(17)9-10-16(19-15)20-18/h5-10H,2-4,11,18H2,1H3,(H,19,20)
InChIKeyIAUHFNFCKIMNGO-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.94
Rot. Bonds7

About [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine

[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine (PubChem CID 115493212) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
PubChem CID115493212
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
SMILESCCCCc1ccc(OCc2nc(NN)ccc2Cl)cc1
InChIInChI=1S/C16H20ClN3O/c1-2-3-4-12-5-7-13(8-6-12)21-11-15-14(17)9-10-16(19-15)20-18/h5-10H,2-4,11,18H2,1H3,(H,19,20)
InChIKeyIAUHFNFCKIMNGO-UHFFFAOYSA-N
XLogP3.94
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.94
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'}

Analyze [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-6-(pentoxymethyl)-2-pyridinyl]hydrazine
CID 62887028
[5-chloro-6-(methoxymethyl)-2-pyridinyl]hydrazine
CID 62884913
5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 115493229
[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62886125
[5-chloro-6-[(2,6-dibromophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62887202
5-[(4-butylphenoxy)methyl]-2-chloropyridine
CID 113322669
5-chloro-N-ethyl-6-[(4-fluorophenoxy)methyl]pyridin-2-amine
CID 62885461
[6-methyl-2-[(4-propylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656739
2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol
CID 104743978
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 62887389

Frequently Asked Questions

What is the IUPAC name of [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine (CID 115493212) is [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine is CCCCc1ccc(OCc2nc(NN)ccc2Cl)cc1.
What is the InChIKey of [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The InChIKey is IAUHFNFCKIMNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-3-4-12-5-7-13(8-6-12)21-11-15-14(17)9-10-16(19-15)20-18/h5-10H,2-4,11,18H2,1H3,(H,19,20).
What are the key properties of [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine has a molecular weight of 305.81 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine is sourced from PubChem (CID 115493212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).