2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine

C8H7Cl2NO — CID 11333169

IUPAC2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine
SMILESCC1(c2ccc(Cl)nc2Cl)CO1
InChIInChI=1S/C8H7Cl2NO/c1-8(4-12-8)5-2-3-6(9)11-7(5)10/h2-3H,4H2,1H3
InChIKeyFJWXJMAZJRWZSH-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.63
Rot. Bonds1

About 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine

2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine (PubChem CID 11333169) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine
PubChem CID11333169
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine
SMILESCC1(c2ccc(Cl)nc2Cl)CO1
InChIInChI=1S/C8H7Cl2NO/c1-8(4-12-8)5-2-3-6(9)11-7(5)10/h2-3H,4H2,1H3
InChIKeyFJWXJMAZJRWZSH-UHFFFAOYSA-N
XLogP2.63
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine?
The IUPAC name of 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine (CID 11333169) is 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine is CC1(c2ccc(Cl)nc2Cl)CO1.
What is the InChIKey of 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine?
The InChIKey is FJWXJMAZJRWZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-8(4-12-8)5-2-3-6(9)11-7(5)10/h2-3H,4H2,1H3.
What are the key properties of 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine?
2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine has a molecular weight of 204.06 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(2-methyloxiran-2-yl)pyridine is sourced from PubChem (CID 11333169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).