3-chloro-4-hydroxy-5-methoxybenzohydrazide

C8H9ClN2O3 — CID 67488577

IUPAC3-chloro-4-hydroxy-5-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NN)cc(Cl)c1O
InChIInChI=1S/C8H9ClN2O3/c1-14-6-3-4(8(13)11-10)2-5(9)7(6)12/h2-3,12H,10H2,1H3,(H,11,13)
InChIKeyDRJKDHOZRMPXNP-UHFFFAOYSA-N
MW216.62 g/mol
LogP0.66
Rot. Bonds2

About 3-chloro-4-hydroxy-5-methoxybenzohydrazide

3-chloro-4-hydroxy-5-methoxybenzohydrazide (PubChem CID 67488577) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-5-methoxybenzohydrazide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-5-methoxybenzohydrazide
PubChem CID67488577
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name3-chloro-4-hydroxy-5-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NN)cc(Cl)c1O
InChIInChI=1S/C8H9ClN2O3/c1-14-6-3-4(8(13)11-10)2-5(9)7(6)12/h2-3,12H,10H2,1H3,(H,11,13)
InChIKeyDRJKDHOZRMPXNP-UHFFFAOYSA-N
XLogP0.66
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-chloro-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethanone
CID 82632368
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 83953268
3-chloro-N-[(S)-cyano(cyclopropyl)methyl]-4-hydroxy-5-methoxybenzamide
CID 99636990
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
4-bromo-3,5-dichlorobenzohydrazide
CID 169499880
methyl (2S)-2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate;hydrochloride
CID 171215382
4-[5-(hydrazinecarbonyl)-2,3-dimethoxyphenyl]but-2-ynyl 3-chloro-4-hydroxybenzoate
CID 57073945
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135710501
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-5-methoxybenzohydrazide?
The IUPAC name of 3-chloro-4-hydroxy-5-methoxybenzohydrazide (CID 67488577) is 3-chloro-4-hydroxy-5-methoxybenzohydrazide.
What is the SMILES notation for 3-chloro-4-hydroxy-5-methoxybenzohydrazide?
The canonical SMILES for 3-chloro-4-hydroxy-5-methoxybenzohydrazide is COc1cc(C(=O)NN)cc(Cl)c1O.
What is the InChIKey of 3-chloro-4-hydroxy-5-methoxybenzohydrazide?
The InChIKey is DRJKDHOZRMPXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-14-6-3-4(8(13)11-10)2-5(9)7(6)12/h2-3,12H,10H2,1H3,(H,11,13).
What are the key properties of 3-chloro-4-hydroxy-5-methoxybenzohydrazide?
3-chloro-4-hydroxy-5-methoxybenzohydrazide has a molecular weight of 216.62 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-5-methoxybenzohydrazide is sourced from PubChem (CID 67488577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).