4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol

C9H14ClN3O2 — CID 171893610

IUPAC4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol
SMILESNNc1cccc(C(O)C(O)CCCl)n1
InChIInChI=1S/C9H14ClN3O2/c10-5-4-7(14)9(15)6-2-1-3-8(12-6)13-11/h1-3,7,9,14-15H,4-5,11H2,(H,12,13)
InChIKeyVAZDDIYWFVRAJA-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.39
Rot. Bonds5

About 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol

4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol (PubChem CID 171893610) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol
PubChem CID171893610
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol
SMILESNNc1cccc(C(O)C(O)CCCl)n1
InChIInChI=1S/C9H14ClN3O2/c10-5-4-7(14)9(15)6-2-1-3-8(12-6)13-11/h1-3,7,9,14-15H,4-5,11H2,(H,12,13)
InChIKeyVAZDDIYWFVRAJA-UHFFFAOYSA-N
XLogP0.39
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol 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

4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900776
1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893444
3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol
CID 171861504
4-chloro-1-naphthalen-1-ylbutane-1,2-diol
CID 171893987
1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893471
1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817344
N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882517
1-[(6-hydrazinyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107159891
4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
CID 171891478
2-(4-chloro-1,2-dihydroxybutyl)benzamide
CID 171894927
4-chloro-1-(8-chloronaphthalen-1-yl)butane-1,2-diol
CID 171894527
4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
CID 171881066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol (CID 171893610) is 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol is NNc1cccc(C(O)C(O)CCCl)n1.
What is the InChIKey of 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol?
The InChIKey is VAZDDIYWFVRAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c10-5-4-7(14)9(15)6-2-1-3-8(12-6)13-11/h1-3,7,9,14-15H,4-5,11H2,(H,12,13).
What are the key properties of 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol?
4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol has a molecular weight of 231.68 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171893610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).