2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde

C10H9ClN2O — CID 88561394

IUPAC2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde
SMILESNC(C=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H9ClN2O/c11-6-1-2-7-8(9(12)5-14)4-13-10(7)3-6/h1-5,9,13H,12H2
InChIKeyJHPPQCBYKFFDFL-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.02
Rot. Bonds2

About 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde

2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde (PubChem CID 88561394) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde
PubChem CID88561394
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde
SMILESNC(C=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H9ClN2O/c11-6-1-2-7-8(9(12)5-14)4-13-10(7)3-6/h1-5,9,13H,12H2
InChIKeyJHPPQCBYKFFDFL-UHFFFAOYSA-N
XLogP2.02
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722
6-chloro-1H-indole-3-carbaldehyde
CID 12614669
2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
CID 91013936
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole
CID 171608072
1-(6-chloro-1H-indol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821278
6-chloro-1H-indole-3-carboxamide
CID 130666489
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde?
The IUPAC name of 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde (CID 88561394) is 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde?
The canonical SMILES for 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde is NC(C=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde?
The InChIKey is JHPPQCBYKFFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-6-1-2-7-8(9(12)5-14)4-13-10(7)3-6/h1-5,9,13H,12H2.
What are the key properties of 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde?
2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde has a molecular weight of 208.65 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde is sourced from PubChem (CID 88561394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).