ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

C10H7Cl2IN2O2 — CID 164757848

IUPACethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(Cl)nc(Cl)cc2c1I
InChIInChI=1S/C10H7Cl2IN2O2/c1-2-17-10(16)8-6(13)4-3-5(11)14-9(12)7(4)15-8/h3,15H,2H2,1H3
InChIKeyXAMSZOVCEQNSDB-UHFFFAOYSA-N
MW384.99 g/mol
LogP3.65
Rot. Bonds2

About ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 164757848) has the molecular formula C10H7Cl2IN2O2 and a molecular weight of 384.99 g/mol. Its IUPAC name is ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID164757848
Molecular FormulaC10H7Cl2IN2O2
Molecular Weight384.99 g/mol
Exact Mass383.89
IUPAC Nameethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(Cl)nc(Cl)cc2c1I
InChIInChI=1S/C10H7Cl2IN2O2/c1-2-17-10(16)8-6(13)4-3-5(11)14-9(12)7(4)15-8/h3,15H,2H2,1H3
InChIKeyXAMSZOVCEQNSDB-UHFFFAOYSA-N
XLogP3.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.99
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
ethyl 3-(bromomethyl)-2,6-dichloropyridine-4-carboxylate
CID 46899908
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
ethyl 4-chloro-2-iodo-1,3-thiazole-5-carboxylate
CID 170218980
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721
ethyl 6-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 164958293
diethyl 3-chloro-1H-pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
CID 130338818
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
ethyl 3-chloro-6-iodopyrazine-2-carboxylate
CID 139269907
ethyl 3-(4-tert-butylphenyl)-2,6-diiodo-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 68908870
ethyl 5-bromo-7-chloro-3-formyl-1H-indole-2-carboxylate
CID 5133000
ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (CID 164757848) is ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1[nH]c2c(Cl)nc(Cl)cc2c1I.
What is the InChIKey of ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is XAMSZOVCEQNSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2IN2O2/c1-2-17-10(16)8-6(13)4-3-5(11)14-9(12)7(4)15-8/h3,15H,2H2,1H3.
What are the key properties of ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 384.99 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-dichloro-3-iodo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 164757848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).