2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine

C10H7Cl2F2N3O — CID 11623473

IUPAC2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine
SMILESCn1nc(-c2cccnc2Cl)c(Cl)c1OC(F)F
InChIInChI=1S/C10H7Cl2F2N3O/c1-17-9(18-10(13)14)6(11)7(16-17)5-3-2-4-15-8(5)12/h2-4,10H,1H3
InChIKeyZWBAVBXXIHKMBT-UHFFFAOYSA-N
MW294.09 g/mol
LogP3.39
Rot. Bonds3

About 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine

2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine (PubChem CID 11623473) has the molecular formula C10H7Cl2F2N3O and a molecular weight of 294.09 g/mol. Its IUPAC name is 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine
PubChem CID11623473
Molecular FormulaC10H7Cl2F2N3O
Molecular Weight294.09 g/mol
Exact Mass292.99
IUPAC Name2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine
SMILESCn1nc(-c2cccnc2Cl)c(Cl)c1OC(F)F
InChIInChI=1S/C10H7Cl2F2N3O/c1-17-9(18-10(13)14)6(11)7(16-17)5-3-2-4-15-8(5)12/h2-4,10H,1H3
InChIKeyZWBAVBXXIHKMBT-UHFFFAOYSA-N
XLogP3.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 53.39
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-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine?
The IUPAC name of 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine (CID 11623473) is 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine is Cn1nc(-c2cccnc2Cl)c(Cl)c1OC(F)F.
What is the InChIKey of 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine?
The InChIKey is ZWBAVBXXIHKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F2N3O/c1-17-9(18-10(13)14)6(11)7(16-17)5-3-2-4-15-8(5)12/h2-4,10H,1H3.
What are the key properties of 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine?
2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine has a molecular weight of 294.09 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 11623473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).