2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde

C11H10ClNO — CID 112711564

IUPAC2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde
SMILESCc1c(CC=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H10ClNO/c1-7-9-6-8(12)2-3-11(9)13-10(7)4-5-14/h2-3,5-6,13H,4H2,1H3
InChIKeyAIKQFOWBYQSORR-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.87
Rot. Bonds2

About 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde

2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde (PubChem CID 112711564) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde
PubChem CID112711564
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde
SMILESCc1c(CC=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H10ClNO/c1-7-9-6-8(12)2-3-11(9)13-10(7)4-5-14/h2-3,5-6,13H,4H2,1H3
InChIKeyAIKQFOWBYQSORR-UHFFFAOYSA-N
XLogP2.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one
CID 143957657
2-(3,7-dimethyl-1H-indol-2-yl)acetaldehyde
CID 112710904
5-chloro-3-methoxy-1H-indole-2-carbaldehyde
CID 82394983
2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde
CID 87373606
1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine
CID 84641981
2-ethyl-3,5-dimethyl-1H-indole
CID 1209049
N-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 77087229
(3S)-1-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95895331
2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59775439
ethyl 2-but-3-enyl-5-chloro-1H-indole-3-carboxylate
CID 23726084
5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 162409385

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde?
The IUPAC name of 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde (CID 112711564) is 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde is Cc1c(CC=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde?
The InChIKey is AIKQFOWBYQSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7-9-6-8(12)2-3-11(9)13-10(7)4-5-14/h2-3,5-6,13H,4H2,1H3.
What are the key properties of 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde?
2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde has a molecular weight of 207.66 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1H-indol-2-yl)acetaldehyde is sourced from PubChem (CID 112711564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).