1-(2-chloro-4-pyridinyl)but-3-enylhydrazine

C9H12ClN3 — CID 105252780

IUPAC1-(2-chloro-4-pyridinyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccnc(Cl)c1
InChIInChI=1S/C9H12ClN3/c1-2-3-8(13-11)7-4-5-12-9(10)6-7/h2,4-6,8,13H,1,3,11H2
InChIKeyKVVOIJOVMXVSSG-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.82
Rot. Bonds4

About 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine

1-(2-chloro-4-pyridinyl)but-3-enylhydrazine (PubChem CID 105252780) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)but-3-enylhydrazine
PubChem CID105252780
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name1-(2-chloro-4-pyridinyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccnc(Cl)c1
InChIInChI=1S/C9H12ClN3/c1-2-3-8(13-11)7-4-5-12-9(10)6-7/h2,4-6,8,13H,1,3,11H2
InChIKeyKVVOIJOVMXVSSG-UHFFFAOYSA-N
XLogP1.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chloro-4-pyridinyl)-2-cyclopropylethyl]hydrazine
CID 105252594
[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine
CID 105252599
[1-(2-chloro-4-pyridinyl)-2-propan-2-yloxyethyl]hydrazine
CID 105252867
[1-(2-chloro-4-pyridinyl)-3-methylpentyl]hydrazine
CID 105252813
1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
CID 105218181
1-(4-chloro-3-fluorophenyl)but-3-enylhydrazine
CID 107996762
[2-(2-chlorophenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252752
[2-(4-bromo-2-chlorophenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252774
[1-(2-chloro-4-pyridinyl)-5,5,5-trifluoropentyl]hydrazine
CID 105252699
1-phenylbut-3-enylhydrazine
CID 105199312
1-(2-chlorofuran-3-yl)but-3-enylhydrazine
CID 106694221
[2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252760

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine?
The IUPAC name of 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine (CID 105252780) is 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine is C=CCC(NN)c1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine?
The InChIKey is KVVOIJOVMXVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-2-3-8(13-11)7-4-5-12-9(10)6-7/h2,4-6,8,13H,1,3,11H2.
What are the key properties of 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine?
1-(2-chloro-4-pyridinyl)but-3-enylhydrazine has a molecular weight of 197.67 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)but-3-enylhydrazine is sourced from PubChem (CID 105252780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).