2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium

C7H7ClNOY- — CID 59429185

IUPAC2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium
SMILESCc1[c-]c(O)c(N)cc1Cl.[Y]
InChIInChI=1S/C7H7ClNO.Y/c1-4-2-7(10)6(9)3-5(4)8;/h3,10H,9H2,1H3;/q-1;
InChIKeyHQFOQDIAVXSWPO-UHFFFAOYSA-N
MW245.50 g/mol
LogP1.73
Rot. Bonds

About 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium

2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium (PubChem CID 59429185) has the molecular formula C7H7ClNOY- and a molecular weight of 245.50 g/mol. Its IUPAC name is 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium.

Molecular Properties

Compound Name2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium
PubChem CID59429185
Molecular FormulaC7H7ClNOY-
Molecular Weight245.50 g/mol
Exact Mass244.93
IUPAC Name2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium
SMILESCc1[c-]c(O)c(N)cc1Cl.[Y]
InChIInChI=1S/C7H7ClNO.Y/c1-4-2-7(10)6(9)3-5(4)8;/h3,10H,9H2,1H3;/q-1;
InChIKeyHQFOQDIAVXSWPO-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium 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-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium?
The IUPAC name of 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium (CID 59429185) is 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium.
What is the SMILES notation for 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium?
The canonical SMILES for 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium is Cc1[c-]c(O)c(N)cc1Cl.[Y].
What is the InChIKey of 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium?
The InChIKey is HQFOQDIAVXSWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNO.Y/c1-4-2-7(10)6(9)3-5(4)8;/h3,10H,9H2,1H3;/q-1;.
What are the key properties of 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium?
2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium has a molecular weight of 245.50 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-5-methylbenzene-6-id-1-ol;yttrium is sourced from PubChem (CID 59429185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).