5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine

C11H11ClFN3 — CID 165470287

IUPAC5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine
SMILESCCn1nc(C)cc1-c1cc(Cl)cnc1F
InChIInChI=1S/C11H11ClFN3/c1-3-16-10(4-7(2)15-16)9-5-8(12)6-14-11(9)13/h4-6H,3H2,1-2H3
InChIKeyJZABXCRZJMQADK-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.07
Rot. Bonds2

About 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine

5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine (PubChem CID 165470287) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine.

Molecular Properties

Compound Name5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine
PubChem CID165470287
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine
SMILESCCn1nc(C)cc1-c1cc(Cl)cnc1F
InChIInChI=1S/C11H11ClFN3/c1-3-16-10(4-7(2)15-16)9-5-8(12)6-14-11(9)13/h4-6H,3H2,1-2H3
InChIKeyJZABXCRZJMQADK-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.07
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 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine?
The IUPAC name of 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine (CID 165470287) is 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine.
What is the SMILES notation for 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine?
The canonical SMILES for 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine is CCn1nc(C)cc1-c1cc(Cl)cnc1F.
What is the InChIKey of 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine?
The InChIKey is JZABXCRZJMQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-3-16-10(4-7(2)15-16)9-5-8(12)6-14-11(9)13/h4-6H,3H2,1-2H3.
What are the key properties of 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine?
5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine has a molecular weight of 239.68 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-ethyl-5-methylpyrazol-3-yl)-2-fluoropyridine is sourced from PubChem (CID 165470287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).