4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine

C12H12ClF2NO2 — CID 86586470

IUPAC4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine
SMILESCOC=C(c1nccc(Cl)c1OC(F)F)C1CC1
InChIInChI=1S/C12H12ClF2NO2/c1-17-6-8(7-2-3-7)10-11(18-12(14)15)9(13)4-5-16-10/h4-7,12H,2-3H2,1H3
InChIKeyRCMWBNAMHBSCLL-UHFFFAOYSA-N
MW275.68 g/mol
LogP3.73
Rot. Bonds5

About 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine

4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine (PubChem CID 86586470) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine
PubChem CID86586470
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC Name4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine
SMILESCOC=C(c1nccc(Cl)c1OC(F)F)C1CC1
InChIInChI=1S/C12H12ClF2NO2/c1-17-6-8(7-2-3-7)10-11(18-12(14)15)9(13)4-5-16-10/h4-7,12H,2-3H2,1H3
InChIKeyRCMWBNAMHBSCLL-UHFFFAOYSA-N
XLogP3.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine?
The IUPAC name of 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine (CID 86586470) is 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine.
What is the SMILES notation for 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine?
The canonical SMILES for 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine is COC=C(c1nccc(Cl)c1OC(F)F)C1CC1.
What is the InChIKey of 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine?
The InChIKey is RCMWBNAMHBSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c1-17-6-8(7-2-3-7)10-11(18-12(14)15)9(13)4-5-16-10/h4-7,12H,2-3H2,1H3.
What are the key properties of 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine?
4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine has a molecular weight of 275.68 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-cyclopropyl-2-methoxyethenyl)-3-(difluoromethoxy)pyridine is sourced from PubChem (CID 86586470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).