3-chloro-5H-chromeno[4,3-b]pyridine

C12H8ClNO — CID 15748939

IUPAC3-chloro-5H-chromeno[4,3-b]pyridine
SMILESClc1cnc2c(c1)COc1ccccc1-2
InChIInChI=1S/C12H8ClNO/c13-9-5-8-7-15-11-4-2-1-3-10(11)12(8)14-6-9/h1-6H,7H2
InChIKeyDYTGQORTKQFUOH-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.29
Rot. Bonds

About 3-chloro-5H-chromeno[4,3-b]pyridine

3-chloro-5H-chromeno[4,3-b]pyridine (PubChem CID 15748939) has the molecular formula C12H8ClNO and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-chloro-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-5H-chromeno[4,3-b]pyridine
PubChem CID15748939
Molecular FormulaC12H8ClNO
Molecular Weight217.66 g/mol
Exact Mass217.03
IUPAC Name3-chloro-5H-chromeno[4,3-b]pyridine
SMILESClc1cnc2c(c1)COc1ccccc1-2
InChIInChI=1S/C12H8ClNO/c13-9-5-8-7-15-11-4-2-1-3-10(11)12(8)14-6-9/h1-6H,7H2
InChIKeyDYTGQORTKQFUOH-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 3-chloro-5H-chromeno[4,3-b]pyridine (CID 15748939) is 3-chloro-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 3-chloro-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 3-chloro-5H-chromeno[4,3-b]pyridine is Clc1cnc2c(c1)COc1ccccc1-2.
What is the InChIKey of 3-chloro-5H-chromeno[4,3-b]pyridine?
The InChIKey is DYTGQORTKQFUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c13-9-5-8-7-15-11-4-2-1-3-10(11)12(8)14-6-9/h1-6H,7H2.
What are the key properties of 3-chloro-5H-chromeno[4,3-b]pyridine?
3-chloro-5H-chromeno[4,3-b]pyridine has a molecular weight of 217.66 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 15748939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).