4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde

C14H8Cl2N2O — CID 4637543

IUPAC4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccn2)[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H8Cl2N2O/c15-8-5-10(16)13-9(7-19)14(18-12(13)6-8)11-3-1-2-4-17-11/h1-7,18H
InChIKeyOCJBFBDXQAFHOW-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.35
Rot. Bonds2

About 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde

4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde (PubChem CID 4637543) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde
PubChem CID4637543
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccn2)[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H8Cl2N2O/c15-8-5-10(16)13-9(7-19)14(18-12(13)6-8)11-3-1-2-4-17-11/h1-7,18H
InChIKeyOCJBFBDXQAFHOW-UHFFFAOYSA-N
XLogP4.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.35
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

2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 175660865
4,6-dichloro-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde
CID 4564550
2,6-dichloro-4-pyridin-2-ylbenzaldehyde
CID 135290721
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
methyl 4-(4,6-dichloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate;hydrochloride
CID 90485832
5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde
CID 87124357
2-chloro-9H-carbazole-4-carbaldehyde
CID 150983471
4,6-dichloro-3-[(E)-2-cyano-2-pyridin-2-ylethenyl]-1H-indole-2-carboxylic acid
CID 11739826
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
CID 79078535
5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one
CID 70097840
4-chloro-2,6-dipyridin-2-ylpyridine;platinum
CID 87267165

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde (CID 4637543) is 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccccn2)[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde?
The InChIKey is OCJBFBDXQAFHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-8-5-10(16)13-9(7-19)14(18-12(13)6-8)11-3-1-2-4-17-11/h1-7,18H.
What are the key properties of 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde?
4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde has a molecular weight of 291.14 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4637543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).