ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate

C17H15ClN2O2 — CID 134843904

IUPACethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Cl)ccc2n1-c1cc(C)ccn1
InChIInChI=1S/C17H15ClN2O2/c1-3-22-17(21)15-10-12-9-13(18)4-5-14(12)20(15)16-8-11(2)6-7-19-16/h4-10H,3H2,1-2H3
InChIKeySLIXMXZTYCMFPT-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.16
Rot. Bonds3

About ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate

ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate (PubChem CID 134843904) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate
PubChem CID134843904
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Nameethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Cl)ccc2n1-c1cc(C)ccn1
InChIInChI=1S/C17H15ClN2O2/c1-3-22-17(21)15-10-12-9-13(18)4-5-14(12)20(15)16-8-11(2)6-7-19-16/h4-10H,3H2,1-2H3
InChIKeySLIXMXZTYCMFPT-UHFFFAOYSA-N
XLogP4.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid
CID 140967702
ethyl 6-chloro-5-fluoro-1-phenylindole-2-carboxylate
CID 155377277
ethyl 5-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68963470
ethyl 1-(4-methyl-2-pyridinyl)triazole-4-carboxylate
CID 15459344
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403
2-O-tert-butyl 1-O-ethyl 5-chloroindole-1,2-dicarboxylate
CID 68508263
5-chloro-N,1-dimethylindole-2-carboxamide;1-(5-chloro-1-methylindol-2-yl)-N-methylmethanamine;ethyl 5-chloro-1-methylindole-2-carboxylate;methane
CID 161431014
ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
CID 15881356
1-(5-chloro-1-ethylindol-2-yl)ethanone
CID 117121607
ethyl 1-(cyanomethyl)-5-methylindole-2-carboxylate
CID 14595499
ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
ethyl 1-[(3,4-dichlorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylate
CID 22310857

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate?
The IUPAC name of ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate (CID 134843904) is ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate is CCOC(=O)c1cc2cc(Cl)ccc2n1-c1cc(C)ccn1.
What is the InChIKey of ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate?
The InChIKey is SLIXMXZTYCMFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-3-22-17(21)15-10-12-9-13(18)4-5-14(12)20(15)16-8-11(2)6-7-19-16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate?
ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate has a molecular weight of 314.77 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate is sourced from PubChem (CID 134843904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).