2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine

C11H13Cl2NO — CID 167037212

IUPAC2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine
SMILESCc1c(Cl)nc2c(c1Cl)COC(C)(C)C2
InChIInChI=1S/C11H13Cl2NO/c1-6-9(12)7-5-15-11(2,3)4-8(7)14-10(6)13/h4-5H2,1-3H3
InChIKeyDJOMEKPCYZZHOH-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.55
Rot. Bonds

About 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine

2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine (PubChem CID 167037212) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine.

Molecular Properties

Compound Name2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine
PubChem CID167037212
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine
SMILESCc1c(Cl)nc2c(c1Cl)COC(C)(C)C2
InChIInChI=1S/C11H13Cl2NO/c1-6-9(12)7-5-15-11(2,3)4-8(7)14-10(6)13/h4-5H2,1-3H3
InChIKeyDJOMEKPCYZZHOH-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The IUPAC name of 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine (CID 167037212) is 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine.
What is the SMILES notation for 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The canonical SMILES for 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine is Cc1c(Cl)nc2c(c1Cl)COC(C)(C)C2.
What is the InChIKey of 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The InChIKey is DJOMEKPCYZZHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-6-9(12)7-5-15-11(2,3)4-8(7)14-10(6)13/h4-5H2,1-3H3.
What are the key properties of 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine?
2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine has a molecular weight of 246.14 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridine is sourced from PubChem (CID 167037212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).