4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine

C12H12ClF2NO — CID 18629342

IUPAC4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine
SMILESCO/C=C(/c1nccc(Cl)c1C(F)F)C1CC1
InChIInChI=1S/C12H12ClF2NO/c1-17-6-8(7-2-3-7)11-10(12(14)15)9(13)4-5-16-11/h4-7,12H,2-3H2,1H3/b8-6+
InChIKeyYBLNCYJFKQULBN-SOFGYWHQSA-N
MW259.68 g/mol
LogP4.07
Rot. Bonds4

About 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine

4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine (PubChem CID 18629342) has the molecular formula C12H12ClF2NO and a molecular weight of 259.68 g/mol. Its IUPAC name is 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine
PubChem CID18629342
Molecular FormulaC12H12ClF2NO
Molecular Weight259.68 g/mol
Exact Mass259.06
IUPAC Name4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine
SMILESCO/C=C(/c1nccc(Cl)c1C(F)F)C1CC1
InChIInChI=1S/C12H12ClF2NO/c1-17-6-8(7-2-3-7)11-10(12(14)15)9(13)4-5-16-11/h4-7,12H,2-3H2,1H3/b8-6+
InChIKeyYBLNCYJFKQULBN-SOFGYWHQSA-N
XLogP4.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine?
The IUPAC name of 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine (CID 18629342) is 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine.
What is the SMILES notation for 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine?
The canonical SMILES for 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine is CO/C=C(/c1nccc(Cl)c1C(F)F)C1CC1.
What is the InChIKey of 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine?
The InChIKey is YBLNCYJFKQULBN-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H12ClF2NO/c1-17-6-8(7-2-3-7)11-10(12(14)15)9(13)4-5-16-11/h4-7,12H,2-3H2,1H3/b8-6+.
What are the key properties of 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine?
4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine has a molecular weight of 259.68 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethyl)pyridine is sourced from PubChem (CID 18629342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).