2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine

C11H8ClF2N3 — CID 137391909

IUPAC2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine
SMILESC=Cn1cc(-c2ccc(C(F)F)nc2Cl)cn1
InChIInChI=1S/C11H8ClF2N3/c1-2-17-6-7(5-15-17)8-3-4-9(11(13)14)16-10(8)12/h2-6,11H,1H2
InChIKeySKEIDOANAALTAI-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine

2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine (PubChem CID 137391909) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine
PubChem CID137391909
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine
SMILESC=Cn1cc(-c2ccc(C(F)F)nc2Cl)cn1
InChIInChI=1S/C11H8ClF2N3/c1-2-17-6-7(5-15-17)8-3-4-9(11(13)14)16-10(8)12/h2-6,11H,1H2
InChIKeySKEIDOANAALTAI-UHFFFAOYSA-N
XLogP3.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine?
The IUPAC name of 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine (CID 137391909) is 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine is C=Cn1cc(-c2ccc(C(F)F)nc2Cl)cn1.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine?
The InChIKey is SKEIDOANAALTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c1-2-17-6-7(5-15-17)8-3-4-9(11(13)14)16-10(8)12/h2-6,11H,1H2.
What are the key properties of 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine?
2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine has a molecular weight of 255.66 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-3-(1-ethenylpyrazol-4-yl)pyridine is sourced from PubChem (CID 137391909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).