N-(2-chloro-5-hydroxyphenyl)nitramide

C6H5ClN2O3 — CID 67934436

IUPACN-(2-chloro-5-hydroxyphenyl)nitramide
SMILESO=[N+]([O-])Nc1cc(O)ccc1Cl
InChIInChI=1S/C6H5ClN2O3/c7-5-2-1-4(10)3-6(5)8-9(11)12/h1-3,8,10H
InChIKeyFUPQCVNEWMPZQI-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.65
Rot. Bonds2

About N-(2-chloro-5-hydroxyphenyl)nitramide

N-(2-chloro-5-hydroxyphenyl)nitramide (PubChem CID 67934436) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is N-(2-chloro-5-hydroxyphenyl)nitramide.

Molecular Properties

Compound NameN-(2-chloro-5-hydroxyphenyl)nitramide
PubChem CID67934436
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC NameN-(2-chloro-5-hydroxyphenyl)nitramide
SMILESO=[N+]([O-])Nc1cc(O)ccc1Cl
InChIInChI=1S/C6H5ClN2O3/c7-5-2-1-4(10)3-6(5)8-9(11)12/h1-3,8,10H
InChIKeyFUPQCVNEWMPZQI-UHFFFAOYSA-N
XLogP1.65
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,5,6-tetrachlorophenyl)nitramide
CID 22755541
4-chloro-3-(ethylamino)phenol
CID 146310841
N-(5-chloro-2,4-difluorophenyl)nitramide
CID 57216899
3-amino-4-chlorophenol;(2-chloro-5-hydroxyphenyl)urea
CID 155658477
N-(2-chloro-5-hydroxyphenyl)butanamide
CID 137473270
4-chlorobenzene-1,3-diol
CID 1731
bis(3,4-dichlorophenol);zirconium
CID 161397670
(2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 2518469
N-[3-(2-chloro-5-hydroxyanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide
CID 57448691
4-(methylamino)-3-nitrophenol
CID 22832045
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
(2,4-dichlorophenyl)hydrazine;nitric acid
CID 138619614

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-hydroxyphenyl)nitramide?
The IUPAC name of N-(2-chloro-5-hydroxyphenyl)nitramide (CID 67934436) is N-(2-chloro-5-hydroxyphenyl)nitramide.
What is the SMILES notation for N-(2-chloro-5-hydroxyphenyl)nitramide?
The canonical SMILES for N-(2-chloro-5-hydroxyphenyl)nitramide is O=[N+]([O-])Nc1cc(O)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-hydroxyphenyl)nitramide?
The InChIKey is FUPQCVNEWMPZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-5-2-1-4(10)3-6(5)8-9(11)12/h1-3,8,10H.
What are the key properties of N-(2-chloro-5-hydroxyphenyl)nitramide?
N-(2-chloro-5-hydroxyphenyl)nitramide has a molecular weight of 188.57 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-hydroxyphenyl)nitramide is sourced from PubChem (CID 67934436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).