(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol

C8H8ClNO3 — CID 71299062

IUPAC(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol
SMILESOCc1c(Cl)cnc2c1OCCO2
InChIInChI=1S/C8H8ClNO3/c9-6-3-10-8-7(5(6)4-11)12-1-2-13-8/h3,11H,1-2,4H2
InChIKeyYKVVXYYYNBHYTE-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.00
Rot. Bonds1

About (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol

(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol (PubChem CID 71299062) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol.

Molecular Properties

Compound Name(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol
PubChem CID71299062
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol
SMILESOCc1c(Cl)cnc2c1OCCO2
InChIInChI=1S/C8H8ClNO3/c9-6-3-10-8-7(5(6)4-11)12-1-2-13-8/h3,11H,1-2,4H2
InChIKeyYKVVXYYYNBHYTE-UHFFFAOYSA-N
XLogP1.00
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol?
The IUPAC name of (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol (CID 71299062) is (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol.
What is the SMILES notation for (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol?
The canonical SMILES for (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol is OCc1c(Cl)cnc2c1OCCO2.
What is the InChIKey of (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol?
The InChIKey is YKVVXYYYNBHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c9-6-3-10-8-7(5(6)4-11)12-1-2-13-8/h3,11H,1-2,4H2.
What are the key properties of (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol?
(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol has a molecular weight of 201.61 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol is sourced from PubChem (CID 71299062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).