4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen

C7H7ClN2O4 — CID 176693426

IUPAC4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
SMILESNC(=O)c1cc(O)c(Cl)c([N+](=O)[O-])c1.[H][H]
InChIInChI=1S/C7H5ClN2O4.H2/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11;/h1-2,11H,(H2,9,12);1H
InChIKeyBINIKVUKFIAZPP-UHFFFAOYSA-N
MW218.60 g/mol
LogP1.30
Rot. Bonds2

About 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen

4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen (PubChem CID 176693426) has the molecular formula C7H7ClN2O4 and a molecular weight of 218.60 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen.

Molecular Properties

Compound Name4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
PubChem CID176693426
Molecular FormulaC7H7ClN2O4
Molecular Weight218.60 g/mol
Exact Mass218.01
IUPAC Name4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
SMILESNC(=O)c1cc(O)c(Cl)c([N+](=O)[O-])c1.[H][H]
InChIInChI=1S/C7H5ClN2O4.H2/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11;/h1-2,11H,(H2,9,12);1H
InChIKeyBINIKVUKFIAZPP-UHFFFAOYSA-N
XLogP1.30
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.60
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3,5-dinitrobenzoyl chloride
CID 23451564
4-chloro-N-hydroxy-3,5-dinitrobenzamide
CID 71370589
3,5-dichloro-4-nitrobenzamide
CID 121228420
3-amino-4,5-dinitrobenzamide
CID 131501988
2-chloro-5-ethyl-3-nitrophenol
CID 165153048
4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
4-fluoro-3-methyl-5-nitrobenzamide
CID 118821864
3,5-dinitrobenzamide;hydrochloride
CID 172864761
2-methylpropyl 4-chloro-3,5-dinitrobenzoate
CID 3479605
4-chloro-3,5-dinitro-N-propan-2-ylbenzamide
CID 4628263
3-chloro-5-nitro-4-(propylamino)benzamide
CID 62167214
4-chloro-N-(2-hydroxyethyl)-3,5-dinitrobenzamide
CID 10517565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen?
The IUPAC name of 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen (CID 176693426) is 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen.
What is the SMILES notation for 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen?
The canonical SMILES for 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen is NC(=O)c1cc(O)c(Cl)c([N+](=O)[O-])c1.[H][H].
What is the InChIKey of 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen?
The InChIKey is BINIKVUKFIAZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O4.H2/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11;/h1-2,11H,(H2,9,12);1H.
What are the key properties of 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen?
4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen has a molecular weight of 218.60 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen is sourced from PubChem (CID 176693426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).