[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine

C16H20ClN3O — CID 62887389

IUPAC[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
SMILESCCC(C)c1ccccc1OCc1nc(NN)ccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-3-11(2)12-6-4-5-7-15(12)21-10-14-13(17)8-9-16(19-14)20-18/h4-9,11H,3,10,18H2,1-2H3,(H,19,20)
InChIKeyPVWLMBLQMJBIAG-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.11
Rot. Bonds6

About [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine

[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine (PubChem CID 62887389) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
PubChem CID62887389
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
SMILESCCC(C)c1ccccc1OCc1nc(NN)ccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-3-11(2)12-6-4-5-7-15(12)21-10-14-13(17)8-9-16(19-14)20-18/h4-9,11H,3,10,18H2,1-2H3,(H,19,20)
InChIKeyPVWLMBLQMJBIAG-UHFFFAOYSA-N
XLogP4.11
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.11
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

2-[2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107714116
3-[(2-butan-2-ylphenoxy)methyl]-4-chloroaniline
CID 43350156
[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259305
5-[(2-butan-2-ylphenoxy)methyl]-2-chloroaniline
CID 43349954
[5-chloro-6-(methoxymethyl)-2-pyridinyl]hydrazine
CID 62884913
[6-[(2-bromo-6-methoxyphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 83140587
[5-chloro-6-[(2,6-dibromophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62887202
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663952
6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine
CID 79239022
5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine
CID 63649715
3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
CID 55127453
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978

Frequently Asked Questions

What is the IUPAC name of [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine (CID 62887389) is [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine is CCC(C)c1ccccc1OCc1nc(NN)ccc1Cl.
What is the InChIKey of [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The InChIKey is PVWLMBLQMJBIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-11(2)12-6-4-5-7-15(12)21-10-14-13(17)8-9-16(19-14)20-18/h4-9,11H,3,10,18H2,1-2H3,(H,19,20).
What are the key properties of [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine has a molecular weight of 305.81 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine is sourced from PubChem (CID 62887389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).