(5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate

C14H8ClFN2O2 — CID 156907346

IUPAC(5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cc(F)cc2[nH]ccc12
InChIInChI=1S/C14H8ClFN2O2/c15-8-3-10(7-17-6-8)20-14(19)12-4-9(16)5-13-11(12)1-2-18-13/h1-7,18H
InChIKeyMLTLPJROQNHOKO-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.57
Rot. Bonds2

About (5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate

(5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate (PubChem CID 156907346) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate
PubChem CID156907346
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name(5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cc(F)cc2[nH]ccc12
InChIInChI=1S/C14H8ClFN2O2/c15-8-3-10(7-17-6-8)20-14(19)12-4-9(16)5-13-11(12)1-2-18-13/h1-7,18H
InChIKeyMLTLPJROQNHOKO-UHFFFAOYSA-N
XLogP3.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.57
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) 6-fluoro-1H-indole-4-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate (CID 156907346) is (5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate is O=C(Oc1cncc(Cl)c1)c1cc(F)cc2[nH]ccc12.
What is the InChIKey of (5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate?
The InChIKey is MLTLPJROQNHOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-8-3-10(7-17-6-8)20-14(19)12-4-9(16)5-13-11(12)1-2-18-13/h1-7,18H.
What are the key properties of (5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate?
(5-chloro-3-pyridinyl) 6-fluoro-1H-indole-4-carboxylate has a molecular weight of 290.68 g/mol, XLogP of 3.57, 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) 6-fluoro-1H-indole-4-carboxylate is sourced from PubChem (CID 156907346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).