6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C10H9ClN2O — CID 82395234

IUPAC6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCc1cc(Cl)nc2c1c(C=O)cn2C
InChIInChI=1S/C10H9ClN2O/c1-6-3-8(11)12-10-9(6)7(5-14)4-13(10)2/h3-5H,1-2H3
InChIKeyWBJDKCLAEGAMLR-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.35
Rot. Bonds1

About 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde

6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 82395234) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID82395234
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCc1cc(Cl)nc2c1c(C=O)cn2C
InChIInChI=1S/C10H9ClN2O/c1-6-3-8(11)12-10-9(6)7(5-14)4-13(10)2/h3-5H,1-2H3
InChIKeyWBJDKCLAEGAMLR-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 131325149
4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 57443579
5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde
CID 105434991
1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine
CID 96590803
1,5-dimethylindole-3-carbaldehyde
CID 1419073
5-bromo-7-chloro-1-methylindole-3-carbaldehyde
CID 83489032
5-chloro-2,8-dimethylquinoline-4-carbaldehyde
CID 82573852
6-chloro-2-(fluoromethoxy)-4-methylpyridine-3-carbaldehyde
CID 167247891
4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine
CID 71090276
4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 82411213
5-chloro-2-methylindazole-6-carbaldehyde
CID 117110225
5,7-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449422

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 82395234) is 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde is Cc1cc(Cl)nc2c1c(C=O)cn2C.
What is the InChIKey of 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is WBJDKCLAEGAMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-3-8(11)12-10-9(6)7(5-14)4-13(10)2/h3-5H,1-2H3.
What are the key properties of 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 208.65 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 82395234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).