2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

C11H9Cl2F2N3O — CID 153296753

IUPAC2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCn1ncc(Cl)c1-c1cnc(Cl)cc1OC(F)F
InChIInChI=1S/C11H9Cl2F2N3O/c1-2-18-10(7(12)5-17-18)6-4-16-9(13)3-8(6)19-11(14)15/h3-5,11H,2H2,1H3
InChIKeyWCZOUABZGXEROS-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.87
Rot. Bonds4

About 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (PubChem CID 153296753) has the molecular formula C11H9Cl2F2N3O and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
PubChem CID153296753
Molecular FormulaC11H9Cl2F2N3O
Molecular Weight308.12 g/mol
Exact Mass307.01
IUPAC Name2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCn1ncc(Cl)c1-c1cnc(Cl)cc1OC(F)F
InChIInChI=1S/C11H9Cl2F2N3O/c1-2-18-10(7(12)5-17-18)6-4-16-9(13)3-8(6)19-11(14)15/h3-5,11H,2H2,1H3
InChIKeyWCZOUABZGXEROS-UHFFFAOYSA-N
XLogP3.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The IUPAC name of 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (CID 153296753) is 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is CCn1ncc(Cl)c1-c1cnc(Cl)cc1OC(F)F.
What is the InChIKey of 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The InChIKey is WCZOUABZGXEROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F2N3O/c1-2-18-10(7(12)5-17-18)6-4-16-9(13)3-8(6)19-11(14)15/h3-5,11H,2H2,1H3.
What are the key properties of 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine has a molecular weight of 308.12 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is sourced from PubChem (CID 153296753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).