(5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate

C15H11ClN2O2 — CID 156907353

IUPAC(5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate
SMILESCc1ncc(Cl)cc1OC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H11ClN2O2/c1-9-14(7-10(16)8-18-9)20-15(19)12-3-2-4-13-11(12)5-6-17-13/h2-8,17H,1H3
InChIKeyZEUFGQXUYAFTQK-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.74
Rot. Bonds2

About (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate

(5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate (PubChem CID 156907353) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate.

Molecular Properties

Compound Name(5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate
PubChem CID156907353
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate
SMILESCc1ncc(Cl)cc1OC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H11ClN2O2/c1-9-14(7-10(16)8-18-9)20-15(19)12-3-2-4-13-11(12)5-6-17-13/h2-8,17H,1H3
InChIKeyZEUFGQXUYAFTQK-UHFFFAOYSA-N
XLogP3.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate?
The IUPAC name of (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate (CID 156907353) is (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate.
What is the SMILES notation for (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate?
The canonical SMILES for (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate is Cc1ncc(Cl)cc1OC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate?
The InChIKey is ZEUFGQXUYAFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-14(7-10(16)8-18-9)20-15(19)12-3-2-4-13-11(12)5-6-17-13/h2-8,17H,1H3.
What are the key properties of (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate?
(5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methyl-3-pyridinyl) 1H-indole-4-carboxylate is sourced from PubChem (CID 156907353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).