7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C9H10ClNO2 — CID 146283740

IUPAC7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(Cl)c1cnc2c(c1)OCCO2
InChIInChI=1S/C9H10ClNO2/c1-6(10)7-4-8-9(11-5-7)13-3-2-12-8/h4-6H,2-3H2,1H3
InChIKeyITJIZYQAKQBQCM-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.15
Rot. Bonds1

About 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146283740) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146283740
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(Cl)c1cnc2c(c1)OCCO2
InChIInChI=1S/C9H10ClNO2/c1-6(10)7-4-8-9(11-5-7)13-3-2-12-8/h4-6H,2-3H2,1H3
InChIKeyITJIZYQAKQBQCM-UHFFFAOYSA-N
XLogP2.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 59199637
7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 74788146
1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone
CID 66598503
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 144727603
7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine
CID 90442140
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166766447
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane
CID 91423085
6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
CID 61083741
6-(3-chlorohexan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83051147
6-chloro-2,3-dihydrofuro[3,2-c]pyridine
CID 10725593

Frequently Asked Questions

What is the IUPAC name of 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146283740) is 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(Cl)c1cnc2c(c1)OCCO2.
What is the InChIKey of 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is ITJIZYQAKQBQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(10)7-4-8-9(11-5-7)13-3-2-12-8/h4-6H,2-3H2,1H3.
What are the key properties of 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 199.64 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146283740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).