(2,3-diamino-5-chlorophenyl)methanol

C7H9ClN2O — CID 67106746

IUPAC(2,3-diamino-5-chlorophenyl)methanol
SMILESNc1cc(Cl)cc(CO)c1N
InChIInChI=1S/C7H9ClN2O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3,9-10H2
InChIKeyNTOWKPSUYAZNNN-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.00
Rot. Bonds1

About (2,3-diamino-5-chlorophenyl)methanol

(2,3-diamino-5-chlorophenyl)methanol (PubChem CID 67106746) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is (2,3-diamino-5-chlorophenyl)methanol.

Molecular Properties

Compound Name(2,3-diamino-5-chlorophenyl)methanol
PubChem CID67106746
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name(2,3-diamino-5-chlorophenyl)methanol
SMILESNc1cc(Cl)cc(CO)c1N
InChIInChI=1S/C7H9ClN2O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3,9-10H2
InChIKeyNTOWKPSUYAZNNN-UHFFFAOYSA-N
XLogP1.00
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,3-diamino-5-chlorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-diamino-5-chlorophenyl)methanol?
The IUPAC name of (2,3-diamino-5-chlorophenyl)methanol (CID 67106746) is (2,3-diamino-5-chlorophenyl)methanol.
What is the SMILES notation for (2,3-diamino-5-chlorophenyl)methanol?
The canonical SMILES for (2,3-diamino-5-chlorophenyl)methanol is Nc1cc(Cl)cc(CO)c1N.
What is the InChIKey of (2,3-diamino-5-chlorophenyl)methanol?
The InChIKey is NTOWKPSUYAZNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3,9-10H2.
What are the key properties of (2,3-diamino-5-chlorophenyl)methanol?
(2,3-diamino-5-chlorophenyl)methanol has a molecular weight of 172.62 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diamino-5-chlorophenyl)methanol is sourced from PubChem (CID 67106746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).