[4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid

C7H8BClN2O3 — CID 130058696

IUPAC[4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid
SMILESNNC(=O)c1cc(B(O)O)ccc1Cl
InChIInChI=1S/C7H8BClN2O3/c9-6-2-1-4(8(13)14)3-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12)
InChIKeyJFYVMZLTGUCFDO-UHFFFAOYSA-N
MW214.42 g/mol
LogP-1.38
Rot. Bonds2

About [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid

[4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid (PubChem CID 130058696) has the molecular formula C7H8BClN2O3 and a molecular weight of 214.42 g/mol. Its IUPAC name is [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid
PubChem CID130058696
Molecular FormulaC7H8BClN2O3
Molecular Weight214.42 g/mol
Exact Mass214.03
IUPAC Name[4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid
SMILESNNC(=O)c1cc(B(O)O)ccc1Cl
InChIInChI=1S/C7H8BClN2O3/c9-6-2-1-4(8(13)14)3-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12)
InChIKeyJFYVMZLTGUCFDO-UHFFFAOYSA-N
XLogP-1.38
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichlorobenzene-1,4-dicarbohydrazide
CID 124926031
[4-chloro-3-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 167741195
3,5-dichloro-2-(methylamino)benzohydrazide
CID 43828814
3-chloro-2-hydroxybenzohydrazide;hydrochloride
CID 130771033
[3-chloro-4-[[(3,5-dimethylbenzoyl)amino]carbamoyl]phenyl]boronic acid
CID 90432347
2-chloro-4-cyanobenzohydrazide
CID 130952526
8-chloronaphthalene-1-carbohydrazide
CID 176640638
2-chloro-4-propylbenzohydrazide
CID 138958414
[4-chloro-3-(2-methylpropoxy)phenyl]boronic acid
CID 53216434
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
2-chloro-6-(hydrazinecarbonyl)benzoic acid
CID 169146533
2-chloro-3-hydroxybenzohydrazide
CID 59092296

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid?
The IUPAC name of [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid (CID 130058696) is [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid.
What is the SMILES notation for [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid?
The canonical SMILES for [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid is NNC(=O)c1cc(B(O)O)ccc1Cl.
What is the InChIKey of [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid?
The InChIKey is JFYVMZLTGUCFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BClN2O3/c9-6-2-1-4(8(13)14)3-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12).
What are the key properties of [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid?
[4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid has a molecular weight of 214.42 g/mol, XLogP of -1.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(hydrazinecarbonyl)phenyl]boronic acid is sourced from PubChem (CID 130058696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).