2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine

C14H10F2N4 — CID 141398602

IUPAC2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine
SMILESCn1cc(-c2cccc(-c3ccc(F)nc3F)n2)cn1
InChIInChI=1S/C14H10F2N4/c1-20-8-9(7-17-20)11-3-2-4-12(18-11)10-5-6-13(15)19-14(10)16/h2-8H,1H3
InChIKeyXIXGZOUUULMXGQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.82
Rot. Bonds2

About 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine

2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine (PubChem CID 141398602) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine
PubChem CID141398602
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine
SMILESCn1cc(-c2cccc(-c3ccc(F)nc3F)n2)cn1
InChIInChI=1S/C14H10F2N4/c1-20-8-9(7-17-20)11-3-2-4-12(18-11)10-5-6-13(15)19-14(10)16/h2-8H,1H3
InChIKeyXIXGZOUUULMXGQ-UHFFFAOYSA-N
XLogP2.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.82
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 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine?
The IUPAC name of 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine (CID 141398602) is 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine is Cn1cc(-c2cccc(-c3ccc(F)nc3F)n2)cn1.
What is the InChIKey of 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine?
The InChIKey is XIXGZOUUULMXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c1-20-8-9(7-17-20)11-3-2-4-12(18-11)10-5-6-13(15)19-14(10)16/h2-8H,1H3.
What are the key properties of 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine?
2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine has a molecular weight of 272.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 141398602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).