2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde

C12H10ClNO4 — CID 3717056

IUPAC2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde
SMILESCOc1cc(OC)c2[nH]c(Cl)c(C=O)c2c1C=O
InChIInChI=1S/C12H10ClNO4/c1-17-8-3-9(18-2)11-10(6(8)4-15)7(5-16)12(13)14-11/h3-5,14H,1-2H3
InChIKeyMLPMMQAGFLIJPY-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.46
Rot. Bonds4

About 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde

2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde (PubChem CID 3717056) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde.

Molecular Properties

Compound Name2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde
PubChem CID3717056
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde
SMILESCOc1cc(OC)c2[nH]c(Cl)c(C=O)c2c1C=O
InChIInChI=1S/C12H10ClNO4/c1-17-8-3-9(18-2)11-10(6(8)4-15)7(5-16)12(13)14-11/h3-5,14H,1-2H3
InChIKeyMLPMMQAGFLIJPY-UHFFFAOYSA-N
XLogP2.46
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde
CID 10830916
4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
CID 132915513
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495
4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde
CID 86172079
3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
CID 82391920
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
2-acetyl-4-chloro-6-methoxybenzaldehyde
CID 171002394
8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84626540
6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
CID 135333306
2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde
CID 58004725
8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde
CID 46942114
2,3,4-trifluoro-6-methoxybenzaldehyde
CID 105443995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde?
The IUPAC name of 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde (CID 3717056) is 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde.
What is the SMILES notation for 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde?
The canonical SMILES for 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde is COc1cc(OC)c2[nH]c(Cl)c(C=O)c2c1C=O.
What is the InChIKey of 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde?
The InChIKey is MLPMMQAGFLIJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-17-8-3-9(18-2)11-10(6(8)4-15)7(5-16)12(13)14-11/h3-5,14H,1-2H3.
What are the key properties of 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde?
2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde has a molecular weight of 267.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde is sourced from PubChem (CID 3717056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).