[2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate

C14H11ClN2O5 — CID 91483770

IUPAC[2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate
SMILESNNC(=O)c1ccc(O)cc1OC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O5/c15-7-1-4-11(19)10(5-7)14(21)22-12-6-8(18)2-3-9(12)13(20)17-16/h1-6,18-19H,16H2,(H,17,20)
InChIKeyQAILEIBOUGPHIY-UHFFFAOYSA-N
MW322.70 g/mol
LogP1.57
Rot. Bonds3

About [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate

[2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate (PubChem CID 91483770) has the molecular formula C14H11ClN2O5 and a molecular weight of 322.70 g/mol. Its IUPAC name is [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate
PubChem CID91483770
Molecular FormulaC14H11ClN2O5
Molecular Weight322.70 g/mol
Exact Mass322.04
IUPAC Name[2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate
SMILESNNC(=O)c1ccc(O)cc1OC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O5/c15-7-1-4-11(19)10(5-7)14(21)22-12-6-8(18)2-3-9(12)13(20)17-16/h1-6,18-19H,16H2,(H,17,20)
InChIKeyQAILEIBOUGPHIY-UHFFFAOYSA-N
XLogP1.57
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
CID 71318938
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
propyl 5-chloro-2-hydroxybenzoate
CID 43389601
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870731
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870700

Frequently Asked Questions

What is the IUPAC name of [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate (CID 91483770) is [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate is NNC(=O)c1ccc(O)cc1OC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is QAILEIBOUGPHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O5/c15-7-1-4-11(19)10(5-7)14(21)22-12-6-8(18)2-3-9(12)13(20)17-16/h1-6,18-19H,16H2,(H,17,20).
What are the key properties of [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate?
[2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 322.70 g/mol, XLogP of 1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 91483770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).