2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine

C11H10ClF2N3 — CID 174054306

IUPAC2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine
SMILESCc1c(C(F)F)nn(-c2cccc(Cl)n2)c1C
InChIInChI=1S/C11H10ClF2N3/c1-6-7(2)17(16-10(6)11(13)14)9-5-3-4-8(12)15-9/h3-5,11H,1-2H3
InChIKeyZWOJSTXAXVZIEB-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine

2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine (PubChem CID 174054306) has the molecular formula C11H10ClF2N3 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine
PubChem CID174054306
Molecular FormulaC11H10ClF2N3
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine
SMILESCc1c(C(F)F)nn(-c2cccc(Cl)n2)c1C
InChIInChI=1S/C11H10ClF2N3/c1-6-7(2)17(16-10(6)11(13)14)9-5-3-4-8(12)15-9/h3-5,11H,1-2H3
InChIKeyZWOJSTXAXVZIEB-UHFFFAOYSA-N
XLogP3.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.48
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-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine?
The IUPAC name of 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine (CID 174054306) is 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine.
What is the SMILES notation for 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine?
The canonical SMILES for 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine is Cc1c(C(F)F)nn(-c2cccc(Cl)n2)c1C.
What is the InChIKey of 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine?
The InChIKey is ZWOJSTXAXVZIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3/c1-6-7(2)17(16-10(6)11(13)14)9-5-3-4-8(12)15-9/h3-5,11H,1-2H3.
What are the key properties of 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine?
2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine has a molecular weight of 257.67 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine is sourced from PubChem (CID 174054306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).