3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde

C11H10ClNO2 — CID 82391920

IUPAC3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
SMILESCOc1ccc(C)c2c(Cl)c(C=O)[nH]c12
InChIInChI=1S/C11H10ClNO2/c1-6-3-4-8(15-2)11-9(6)10(12)7(5-14)13-11/h3-5,13H,1-2H3
InChIKeyRURIBROHACRILT-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.95
Rot. Bonds2

About 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde

3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde (PubChem CID 82391920) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
PubChem CID82391920
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
SMILESCOc1ccc(C)c2c(Cl)c(C=O)[nH]c12
InChIInChI=1S/C11H10ClNO2/c1-6-3-4-8(15-2)11-9(6)10(12)7(5-14)13-11/h3-5,13H,1-2H3
InChIKeyRURIBROHACRILT-UHFFFAOYSA-N
XLogP2.95
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
CID 105455213
3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde
CID 82387721
2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
CID 55127526
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-2-amine
CID 84627124
(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82500844
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-amine
CID 84740818
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde
CID 3717056
7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 105443504
8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde
CID 46942114

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde?
The IUPAC name of 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde (CID 82391920) is 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde is COc1ccc(C)c2c(Cl)c(C=O)[nH]c12.
What is the InChIKey of 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde?
The InChIKey is RURIBROHACRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6-3-4-8(15-2)11-9(6)10(12)7(5-14)13-11/h3-5,13H,1-2H3.
What are the key properties of 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde?
3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde has a molecular weight of 223.66 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 82391920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).