3-chloro-5H-chromeno[4,3-c]pyridazine

C11H7ClN2O — CID 14458431

IUPAC3-chloro-5H-chromeno[4,3-c]pyridazine
SMILESClc1cc2c(nn1)-c1ccccc1OC2
InChIInChI=1S/C11H7ClN2O/c12-10-5-7-6-15-9-4-2-1-3-8(9)11(7)14-13-10/h1-5H,6H2
InChIKeyCTTAKIWDRFXVBY-UHFFFAOYSA-N
MW218.64 g/mol
LogP2.69
Rot. Bonds

About 3-chloro-5H-chromeno[4,3-c]pyridazine

3-chloro-5H-chromeno[4,3-c]pyridazine (PubChem CID 14458431) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is 3-chloro-5H-chromeno[4,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-5H-chromeno[4,3-c]pyridazine
PubChem CID14458431
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name3-chloro-5H-chromeno[4,3-c]pyridazine
SMILESClc1cc2c(nn1)-c1ccccc1OC2
InChIInChI=1S/C11H7ClN2O/c12-10-5-7-6-15-9-4-2-1-3-8(9)11(7)14-13-10/h1-5H,6H2
InChIKeyCTTAKIWDRFXVBY-UHFFFAOYSA-N
XLogP2.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5H-chromeno[4,3-c]pyridazine?
The IUPAC name of 3-chloro-5H-chromeno[4,3-c]pyridazine (CID 14458431) is 3-chloro-5H-chromeno[4,3-c]pyridazine.
What is the SMILES notation for 3-chloro-5H-chromeno[4,3-c]pyridazine?
The canonical SMILES for 3-chloro-5H-chromeno[4,3-c]pyridazine is Clc1cc2c(nn1)-c1ccccc1OC2.
What is the InChIKey of 3-chloro-5H-chromeno[4,3-c]pyridazine?
The InChIKey is CTTAKIWDRFXVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c12-10-5-7-6-15-9-4-2-1-3-8(9)11(7)14-13-10/h1-5H,6H2.
What are the key properties of 3-chloro-5H-chromeno[4,3-c]pyridazine?
3-chloro-5H-chromeno[4,3-c]pyridazine has a molecular weight of 218.64 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5H-chromeno[4,3-c]pyridazine is sourced from PubChem (CID 14458431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).