1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine

C9H9Cl2N3 — CID 105248733

IUPAC1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N3/c1-2-3-8(14-12)9-7(11)4-6(10)5-13-9/h1,4-5,8,14H,3,12H2
InChIKeyIIBDLXIWHBQTCG-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.92
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine

1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine (PubChem CID 105248733) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine
PubChem CID105248733
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC Name1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N3/c1-2-3-8(14-12)9-7(11)4-6(10)5-13-9/h1,4-5,8,14H,3,12H2
InChIKeyIIBDLXIWHBQTCG-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine
CID 105248609
[1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105248583
[1-(3,5-dichloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105248726
[1-(3,5-dichloro-2-pyridinyl)-3-methylhexyl]hydrazine
CID 105248695
[1-(3,5-dichloro-2-pyridinyl)-2-ethylbutyl]hydrazine
CID 105248573
[2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine
CID 105248707
1-(3,5-dichloro-2-pyridinyl)oct-7-enylhydrazine
CID 107012565
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
[(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]hydrazine
CID 105248688
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
3,5-dichloro-2-(difluoromethyl)pyridine
CID 60622989

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine (CID 105248733) is 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine is C#CCC(NN)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine?
The InChIKey is IIBDLXIWHBQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3/c1-2-3-8(14-12)9-7(11)4-6(10)5-13-9/h1,4-5,8,14H,3,12H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine?
1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine has a molecular weight of 230.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine is sourced from PubChem (CID 105248733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).