2-(2-amino-4-chloro-5-nitrophenyl)ethanol

C8H9ClN2O3 — CID 11138530

IUPAC2-(2-amino-4-chloro-5-nitrophenyl)ethanol
SMILESNc1cc(Cl)c([N+](=O)[O-])cc1CCO
InChIInChI=1S/C8H9ClN2O3/c9-6-4-7(10)5(1-2-12)3-8(6)11(13)14/h3-4,12H,1-2,10H2
InChIKeyWOUDEAKDFCLKSB-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-amino-4-chloro-5-nitrophenyl)ethanol

2-(2-amino-4-chloro-5-nitrophenyl)ethanol (PubChem CID 11138530) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-5-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-chloro-5-nitrophenyl)ethanol
PubChem CID11138530
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-(2-amino-4-chloro-5-nitrophenyl)ethanol
SMILESNc1cc(Cl)c([N+](=O)[O-])cc1CCO
InChIInChI=1S/C8H9ClN2O3/c9-6-4-7(10)5(1-2-12)3-8(6)11(13)14/h3-4,12H,1-2,10H2
InChIKeyWOUDEAKDFCLKSB-UHFFFAOYSA-N
XLogP1.37
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-amino-4-chloro-5-nitrophenyl)acetate
CID 171021629
3-(4-amino-2-chloro-5-nitrophenyl)propanal
CID 58500827
2-(2-chloro-5-nitro-4-pyridinyl)ethanol
CID 87350535
2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol
CID 67469173
2-amino-5-chloro-4-nitrobenzaldehyde
CID 11344681
2-amino-4-chloro-5-nitrobenzenecarboximidamide
CID 150654153
2-amino-6-(2-hydroxyethyl)-3-nitrophenol
CID 67031897
5-chloro-4-nitro-2-prop-2-enoxyaniline
CID 21075374
1-chloro-2,4-dinitro-5-propylbenzene
CID 58056273
2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647
2-[2-amino-5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]ethanol
CID 22706666
2-(5-chloro-2-methyl-4-nitrophenyl)ethanethioamide
CID 90322222

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloro-5-nitrophenyl)ethanol?
The IUPAC name of 2-(2-amino-4-chloro-5-nitrophenyl)ethanol (CID 11138530) is 2-(2-amino-4-chloro-5-nitrophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-chloro-5-nitrophenyl)ethanol?
The canonical SMILES for 2-(2-amino-4-chloro-5-nitrophenyl)ethanol is Nc1cc(Cl)c([N+](=O)[O-])cc1CCO.
What is the InChIKey of 2-(2-amino-4-chloro-5-nitrophenyl)ethanol?
The InChIKey is WOUDEAKDFCLKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c9-6-4-7(10)5(1-2-12)3-8(6)11(13)14/h3-4,12H,1-2,10H2.
What are the key properties of 2-(2-amino-4-chloro-5-nitrophenyl)ethanol?
2-(2-amino-4-chloro-5-nitrophenyl)ethanol has a molecular weight of 216.62 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloro-5-nitrophenyl)ethanol is sourced from PubChem (CID 11138530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).