5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol

C12H10ClNO3 — CID 171920210

IUPAC5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol
SMILESOc1cc(O)cc(Nc2cccc(Cl)c2O)c1
InChIInChI=1S/C12H10ClNO3/c13-10-2-1-3-11(12(10)17)14-7-4-8(15)6-9(16)5-7/h1-6,14-17H
InChIKeyRWBBPXGXYAPORV-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.20
Rot. Bonds2

About 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol

5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol (PubChem CID 171920210) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol.

Molecular Properties

Compound Name5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol
PubChem CID171920210
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol
SMILESOc1cc(O)cc(Nc2cccc(Cl)c2O)c1
InChIInChI=1S/C12H10ClNO3/c13-10-2-1-3-11(12(10)17)14-7-4-8(15)6-9(16)5-7/h1-6,14-17H
InChIKeyRWBBPXGXYAPORV-UHFFFAOYSA-N
XLogP3.20
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3,5-dimethylanilino)phenol
CID 171920442
2-chloro-6-(4-methylanilino)phenol
CID 171920198
1-(3-chloro-2-hydroxyphenyl)-3-phenylthiourea
CID 87654984
(3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide
CID 97246482
N-(2-chlorophenyl)-3,5-difluoroaniline
CID 82536990
5-(2-hydroxyanilino)benzene-1,2,3-triol
CID 171920071
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
3-chlorobenzene-1,2-diol;hydroiodide
CID 70006724
2,6-dichloro-4-(4-hydroxyanilino)phenol
CID 622906
N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide
CID 81433625
3-(2-fluoroanilino)phenol
CID 82537350
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol?
The IUPAC name of 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol (CID 171920210) is 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol.
What is the SMILES notation for 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol?
The canonical SMILES for 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol is Oc1cc(O)cc(Nc2cccc(Cl)c2O)c1.
What is the InChIKey of 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol?
The InChIKey is RWBBPXGXYAPORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c13-10-2-1-3-11(12(10)17)14-7-4-8(15)6-9(16)5-7/h1-6,14-17H.
What are the key properties of 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol?
5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol has a molecular weight of 251.67 g/mol, XLogP of 3.20, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol is sourced from PubChem (CID 171920210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).