8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine

C13H7ClF3NO — CID 90233199

IUPAC8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine
SMILESFC(F)(F)C1Oc2cc(Cl)ccc2-c2ncccc21
InChIInChI=1S/C13H7ClF3NO/c14-7-3-4-8-10(6-7)19-12(13(15,16)17)9-2-1-5-18-11(8)9/h1-6,12H
InChIKeyLAMWJRUYQSYONG-UHFFFAOYSA-N
MW285.65 g/mol
LogP4.40
Rot. Bonds

About 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine

8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine (PubChem CID 90233199) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine
PubChem CID90233199
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine
SMILESFC(F)(F)C1Oc2cc(Cl)ccc2-c2ncccc21
InChIInChI=1S/C13H7ClF3NO/c14-7-3-4-8-10(6-7)19-12(13(15,16)17)9-2-1-5-18-11(8)9/h1-6,12H
InChIKeyLAMWJRUYQSYONG-UHFFFAOYSA-N
XLogP4.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine (CID 90233199) is 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine is FC(F)(F)C1Oc2cc(Cl)ccc2-c2ncccc21.
What is the InChIKey of 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine?
The InChIKey is LAMWJRUYQSYONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-7-3-4-8-10(6-7)19-12(13(15,16)17)9-2-1-5-18-11(8)9/h1-6,12H.
What are the key properties of 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine?
8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine has a molecular weight of 285.65 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 90233199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).