(3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol

C7H7ClN2O3 — CID 90478098

IUPAC(3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol
SMILESOCC1COc2cc(Cl)nnc2O1
InChIInChI=1S/C7H7ClN2O3/c8-6-1-5-7(10-9-6)13-4(2-11)3-12-5/h1,4,11H,2-3H2
InChIKeyLXJHCOAXRDFYCM-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.26
Rot. Bonds1

About (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol

(3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol (PubChem CID 90478098) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol.

Molecular Properties

Compound Name(3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol
PubChem CID90478098
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name(3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol
SMILESOCC1COc2cc(Cl)nnc2O1
InChIInChI=1S/C7H7ClN2O3/c8-6-1-5-7(10-9-6)13-4(2-11)3-12-5/h1,4,11H,2-3H2
InChIKeyLXJHCOAXRDFYCM-UHFFFAOYSA-N
XLogP0.26
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol?
The IUPAC name of (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol (CID 90478098) is (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol.
What is the SMILES notation for (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol?
The canonical SMILES for (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol is OCC1COc2cc(Cl)nnc2O1.
What is the InChIKey of (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol?
The InChIKey is LXJHCOAXRDFYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c8-6-1-5-7(10-9-6)13-4(2-11)3-12-5/h1,4,11H,2-3H2.
What are the key properties of (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol?
(3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol has a molecular weight of 202.60 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl)methanol is sourced from PubChem (CID 90478098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).