2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine

C12H8ClF2N3 — CID 167426649

IUPAC2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine
SMILESFCCn1cc(C#Cc2cnc(Cl)cc2F)cn1
InChIInChI=1S/C12H8ClF2N3/c13-12-5-11(15)10(7-16-12)2-1-9-6-17-18(8-9)4-3-14/h5-8H,3-4H2
InChIKeyFEPNYMJUXJFEST-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.44
Rot. Bonds2

About 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine

2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine (PubChem CID 167426649) has the molecular formula C12H8ClF2N3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine
PubChem CID167426649
Molecular FormulaC12H8ClF2N3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine
SMILESFCCn1cc(C#Cc2cnc(Cl)cc2F)cn1
InChIInChI=1S/C12H8ClF2N3/c13-12-5-11(15)10(7-16-12)2-1-9-6-17-18(8-9)4-3-14/h5-8H,3-4H2
InChIKeyFEPNYMJUXJFEST-UHFFFAOYSA-N
XLogP2.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine?
The IUPAC name of 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine (CID 167426649) is 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine.
What is the SMILES notation for 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine?
The canonical SMILES for 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine is FCCn1cc(C#Cc2cnc(Cl)cc2F)cn1.
What is the InChIKey of 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine?
The InChIKey is FEPNYMJUXJFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3/c13-12-5-11(15)10(7-16-12)2-1-9-6-17-18(8-9)4-3-14/h5-8H,3-4H2.
What are the key properties of 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine?
2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine has a molecular weight of 267.67 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridine is sourced from PubChem (CID 167426649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).