2-chloro-4-hydroxy-5-methoxybenzohydrazide

C8H9ClN2O3 — CID 59092222

IUPAC2-chloro-4-hydroxy-5-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NN)c(Cl)cc1O
InChIInChI=1S/C8H9ClN2O3/c1-14-7-2-4(8(13)11-10)5(9)3-6(7)12/h2-3,12H,10H2,1H3,(H,11,13)
InChIKeyYHTXQNJUUSZPST-UHFFFAOYSA-N
MW216.62 g/mol
LogP0.66
Rot. Bonds2

About 2-chloro-4-hydroxy-5-methoxybenzohydrazide

2-chloro-4-hydroxy-5-methoxybenzohydrazide (PubChem CID 59092222) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-5-methoxybenzohydrazide.

Molecular Properties

Compound Name2-chloro-4-hydroxy-5-methoxybenzohydrazide
PubChem CID59092222
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-chloro-4-hydroxy-5-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NN)c(Cl)cc1O
InChIInChI=1S/C8H9ClN2O3/c1-14-7-2-4(8(13)11-10)5(9)3-6(7)12/h2-3,12H,10H2,1H3,(H,11,13)
InChIKeyYHTXQNJUUSZPST-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

2,5-dichlorobenzene-1,4-dicarbohydrazide
CID 124926031
3-chloro-4-hydroxy-5-methoxybenzohydrazide
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2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
CID 117333135
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 123584135
2-methoxybenzohydrazide
CID 24051
5-chloro-4-(chloromethyl)-2-methoxyphenol
CID 131191143
4-hydroxy-2,6-dimethoxybenzohydrazide
CID 59092606
4-(4-chloroanilino)-2-methoxybenzohydrazide
CID 70030100
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
4-amino-4-(2-chloro-4-hydroxy-5-methoxyphenyl)butanoic acid
CID 117403332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxy-5-methoxybenzohydrazide?
The IUPAC name of 2-chloro-4-hydroxy-5-methoxybenzohydrazide (CID 59092222) is 2-chloro-4-hydroxy-5-methoxybenzohydrazide.
What is the SMILES notation for 2-chloro-4-hydroxy-5-methoxybenzohydrazide?
The canonical SMILES for 2-chloro-4-hydroxy-5-methoxybenzohydrazide is COc1cc(C(=O)NN)c(Cl)cc1O.
What is the InChIKey of 2-chloro-4-hydroxy-5-methoxybenzohydrazide?
The InChIKey is YHTXQNJUUSZPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-14-7-2-4(8(13)11-10)5(9)3-6(7)12/h2-3,12H,10H2,1H3,(H,11,13).
What are the key properties of 2-chloro-4-hydroxy-5-methoxybenzohydrazide?
2-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 2-chloro-4-hydroxy-5-methoxybenzohydrazide is sourced from PubChem (CID 59092222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).