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

C11H7ClFN3 — CID 167426567

IUPAC2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine
SMILESCn1cc(C#Cc2cnc(Cl)cc2F)cn1
InChIInChI=1S/C11H7ClFN3/c1-16-7-8(5-15-16)2-3-9-6-14-11(12)4-10(9)13/h4-7H,1H3
InChIKeyGNVLXDYQUYXTEB-UHFFFAOYSA-N
MW235.65 g/mol
LogP2.01
Rot. Bonds

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

2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine (PubChem CID 167426567) has the molecular formula C11H7ClFN3 and a molecular weight of 235.65 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine
PubChem CID167426567
Molecular FormulaC11H7ClFN3
Molecular Weight235.65 g/mol
Exact Mass235.03
IUPAC Name2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine
SMILESCn1cc(C#Cc2cnc(Cl)cc2F)cn1
InChIInChI=1S/C11H7ClFN3/c1-16-7-8(5-15-16)2-3-9-6-14-11(12)4-10(9)13/h4-7H,1H3
InChIKeyGNVLXDYQUYXTEB-UHFFFAOYSA-N
XLogP2.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 52.01
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-methylpyrazol-4-yl)ethynyl]pyridine?
The IUPAC name of 2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine (CID 167426567) is 2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine.
What is the SMILES notation for 2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine?
The canonical SMILES for 2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine is Cn1cc(C#Cc2cnc(Cl)cc2F)cn1.
What is the InChIKey of 2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine?
The InChIKey is GNVLXDYQUYXTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3/c1-16-7-8(5-15-16)2-3-9-6-14-11(12)4-10(9)13/h4-7H,1H3.
What are the key properties of 2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine?
2-chloro-4-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine has a molecular weight of 235.65 g/mol, XLogP of 2.01, 0 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-methylpyrazol-4-yl)ethynyl]pyridine is sourced from PubChem (CID 167426567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).