4-chloro-3-hydroxybutanehydrazide

C4H9ClN2O2 — CID 18471707

IUPAC4-chloro-3-hydroxybutanehydrazide
SMILESNNC(=O)CC(O)CCl
InChIInChI=1S/C4H9ClN2O2/c5-2-3(8)1-4(9)7-6/h3,8H,1-2,6H2,(H,7,9)
InChIKeyAKYJWCQFGOQDJF-UHFFFAOYSA-N
MW152.58 g/mol
LogP-1.03
Rot. Bonds3

About 4-chloro-3-hydroxybutanehydrazide

4-chloro-3-hydroxybutanehydrazide (PubChem CID 18471707) has the molecular formula C4H9ClN2O2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 4-chloro-3-hydroxybutanehydrazide.

Molecular Properties

Compound Name4-chloro-3-hydroxybutanehydrazide
PubChem CID18471707
Molecular FormulaC4H9ClN2O2
Molecular Weight152.58 g/mol
Exact Mass152.04
IUPAC Name4-chloro-3-hydroxybutanehydrazide
SMILESNNC(=O)CC(O)CCl
InChIInChI=1S/C4H9ClN2O2/c5-2-3(8)1-4(9)7-6/h3,8H,1-2,6H2,(H,7,9)
InChIKeyAKYJWCQFGOQDJF-UHFFFAOYSA-N
XLogP-1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxybutanehydrazide?
The IUPAC name of 4-chloro-3-hydroxybutanehydrazide (CID 18471707) is 4-chloro-3-hydroxybutanehydrazide.
What is the SMILES notation for 4-chloro-3-hydroxybutanehydrazide?
The canonical SMILES for 4-chloro-3-hydroxybutanehydrazide is NNC(=O)CC(O)CCl.
What is the InChIKey of 4-chloro-3-hydroxybutanehydrazide?
The InChIKey is AKYJWCQFGOQDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2O2/c5-2-3(8)1-4(9)7-6/h3,8H,1-2,6H2,(H,7,9).
What are the key properties of 4-chloro-3-hydroxybutanehydrazide?
4-chloro-3-hydroxybutanehydrazide has a molecular weight of 152.58 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxybutanehydrazide is sourced from PubChem (CID 18471707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).