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

C14H9ClN2O2 — CID 25110701

IUPAC(5-chloro-3-pyridinyl) 1H-indole-4-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H
InChIKeyBOSZJNSICHFHMA-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.44
Rot. Bonds2

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

(5-chloro-3-pyridinyl) 1H-indole-4-carboxylate (PubChem CID 25110701) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 1H-indole-4-carboxylate
PubChem CID25110701
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name(5-chloro-3-pyridinyl) 1H-indole-4-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H
InChIKeyBOSZJNSICHFHMA-UHFFFAOYSA-N
XLogP3.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate (CID 25110701) is (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate is O=C(Oc1cncc(Cl)c1)c1cccc2[nH]ccc12.
What is the InChIKey of (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate?
The InChIKey is BOSZJNSICHFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H.
What are the key properties of (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate?
(5-chloro-3-pyridinyl) 1H-indole-4-carboxylate has a molecular weight of 272.69 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 1H-indole-4-carboxylate is sourced from PubChem (CID 25110701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).