5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine

C10H10F2N2 — CID 170272006

IUPAC5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine
SMILESFC1=C(C2C=CC=CN2)C=CC(F)N1
InChIInChI=1S/C10H10F2N2/c11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8/h1-6,8-9,13-14H
InChIKeyKNWQBZRMZRWUQN-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.66
Rot. Bonds1

About 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine

5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine (PubChem CID 170272006) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine
PubChem CID170272006
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine
SMILESFC1=C(C2C=CC=CN2)C=CC(F)N1
InChIInChI=1S/C10H10F2N2/c11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8/h1-6,8-9,13-14H
InChIKeyKNWQBZRMZRWUQN-UHFFFAOYSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine?
The IUPAC name of 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine (CID 170272006) is 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine.
What is the SMILES notation for 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine?
The canonical SMILES for 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine is FC1=C(C2C=CC=CN2)C=CC(F)N1.
What is the InChIKey of 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine?
The InChIKey is KNWQBZRMZRWUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8/h1-6,8-9,13-14H.
What are the key properties of 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine?
5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine has a molecular weight of 196.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydropyridin-2-yl)-2,6-difluoro-1,2-dihydropyridine is sourced from PubChem (CID 170272006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).