(5-chloro-3-pyridinyl) 1H-indole-7-carboxylate

C14H9ClN2O2 — CID 44580152

IUPAC(5-chloro-3-pyridinyl) 1H-indole-7-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccc2cc[nH]c12
InChIInChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)12-3-1-2-9-4-5-17-13(9)12/h1-8,17H
InChIKeyFDPMNGSSFLFBSI-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.44
Rot. Bonds2

About (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate

(5-chloro-3-pyridinyl) 1H-indole-7-carboxylate (PubChem CID 44580152) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 1H-indole-7-carboxylate
PubChem CID44580152
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name(5-chloro-3-pyridinyl) 1H-indole-7-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccc2cc[nH]c12
InChIInChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)12-3-1-2-9-4-5-17-13(9)12/h1-8,17H
InChIKeyFDPMNGSSFLFBSI-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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Related Compounds

5-chloropyridin-3-yl 1H-indole-4-carboxylate
CID 25110701
5-chloropyridin-3-yl 1-acetyl-1H-indole-5-carboxylate
CID 44580736
(5-chloro-3-pyridinyl) 2,3-dihydro-1H-indole-4-carboxylate
CID 156600307
SARS-CoV-2-IN-6
CID 156907341
Indole chloropyridinyl-ester derived, 7e
CID 156907342
Indole chloropyridinyl-ester derived, 7f
CID 156907343
Indole chloropyridinyl-ester derived, 7h
CID 156907345
Indole chloropyridinyl-ester derived, 7j
CID 156907347
Indole chloropyridinyl-ester derived, 7k
CID 156907348
1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-yloxy)-pyridin-3-yl]-amide
CID 24894071
5-chloropyridin-3-yl 1H-indole-2-carboxylate
CID 16204322
acs.jmedchem.1c00409_ST.430
CID 155925842

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate (CID 44580152) is (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate is O=C(Oc1cncc(Cl)c1)c1cccc2cc[nH]c12.
What is the InChIKey of (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate?
The InChIKey is FDPMNGSSFLFBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)12-3-1-2-9-4-5-17-13(9)12/h1-8,17H.
What are the key properties of (5-chloro-3-pyridinyl) 1H-indole-7-carboxylate?
(5-chloro-3-pyridinyl) 1H-indole-7-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-7-carboxylate is sourced from PubChem (CID 44580152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).