azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde

C8H10ClNO3 — CID 161490550

IUPACazane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
SMILESC=O.N.O=Cc1ccc(Cl)cc1O
InChIInChI=1S/C7H5ClO2.CH2O.H3N/c8-6-2-1-5(4-9)7(10)3-6;1-2;/h1-4,10H;1H2;1H3
InChIKeyDCNJURBEERTGSH-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.84
Rot. Bonds1

About azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde

azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde (PubChem CID 161490550) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde.

Molecular Properties

Compound Nameazane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
PubChem CID161490550
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Nameazane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
SMILESC=O.N.O=Cc1ccc(Cl)cc1O
InChIInChI=1S/C7H5ClO2.CH2O.H3N/c8-6-2-1-5(4-9)7(10)3-6;1-2;/h1-4,10H;1H2;1H3
InChIKeyDCNJURBEERTGSH-UHFFFAOYSA-N
XLogP1.84
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde 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 azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde?
The IUPAC name of azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde (CID 161490550) is azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde.
What is the SMILES notation for azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde?
The canonical SMILES for azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde is C=O.N.O=Cc1ccc(Cl)cc1O.
What is the InChIKey of azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde?
The InChIKey is DCNJURBEERTGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.CH2O.H3N/c8-6-2-1-5(4-9)7(10)3-6;1-2;/h1-4,10H;1H2;1H3.
What are the key properties of azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde?
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde has a molecular weight of 203.62 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde is sourced from PubChem (CID 161490550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).