2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine

C16H10ClFN4 — CID 86649882

IUPAC2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
SMILESCc1nc(C#Cc2ccnc(Cl)c2)cn1-c1cccc(F)n1
InChIInChI=1S/C16H10ClFN4/c1-11-20-13(6-5-12-7-8-19-14(17)9-12)10-22(11)16-4-2-3-15(18)21-16/h2-4,7-10H,1H3
InChIKeyOZARCFQFWGXSFP-UHFFFAOYSA-N
MW312.74 g/mol
LogP3.16
Rot. Bonds1

About 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine

2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine (PubChem CID 86649882) has the molecular formula C16H10ClFN4 and a molecular weight of 312.74 g/mol. Its IUPAC name is 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
PubChem CID86649882
Molecular FormulaC16H10ClFN4
Molecular Weight312.74 g/mol
Exact Mass312.06
IUPAC Name2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
SMILESCc1nc(C#Cc2ccnc(Cl)c2)cn1-c1cccc(F)n1
InChIInChI=1S/C16H10ClFN4/c1-11-20-13(6-5-12-7-8-19-14(17)9-12)10-22(11)16-4-2-3-15(18)21-16/h2-4,7-10H,1H3
InChIKeyOZARCFQFWGXSFP-UHFFFAOYSA-N
XLogP3.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine?
The IUPAC name of 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine (CID 86649882) is 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine?
The canonical SMILES for 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine is Cc1nc(C#Cc2ccnc(Cl)c2)cn1-c1cccc(F)n1.
What is the InChIKey of 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine?
The InChIKey is OZARCFQFWGXSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4/c1-11-20-13(6-5-12-7-8-19-14(17)9-12)10-22(11)16-4-2-3-15(18)21-16/h2-4,7-10H,1H3.
What are the key properties of 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine?
2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine has a molecular weight of 312.74 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine is sourced from PubChem (CID 86649882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).