3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine

C10H11ClFNO — CID 167037503

IUPAC3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
SMILESCC1(C)Cc2nc(F)c(Cl)cc2CO1
InChIInChI=1S/C10H11ClFNO/c1-10(2)4-8-6(5-14-10)3-7(11)9(12)13-8/h3H,4-5H2,1-2H3
InChIKeyFPSFTMOELSZOFE-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.73
Rot. Bonds

About 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine

3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine (PubChem CID 167037503) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
PubChem CID167037503
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
SMILESCC1(C)Cc2nc(F)c(Cl)cc2CO1
InChIInChI=1S/C10H11ClFNO/c1-10(2)4-8-6(5-14-10)3-7(11)9(12)13-8/h3H,4-5H2,1-2H3
InChIKeyFPSFTMOELSZOFE-UHFFFAOYSA-N
XLogP2.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.73
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 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The IUPAC name of 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine (CID 167037503) is 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine.
What is the SMILES notation for 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The canonical SMILES for 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine is CC1(C)Cc2nc(F)c(Cl)cc2CO1.
What is the InChIKey of 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The InChIKey is FPSFTMOELSZOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-10(2)4-8-6(5-14-10)3-7(11)9(12)13-8/h3H,4-5H2,1-2H3.
What are the key properties of 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine has a molecular weight of 215.65 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine is sourced from PubChem (CID 167037503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).