2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

C16H16F2N4 — CID 172900652

IUPAC2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1cncc(CN2CC3CC2CN3c2ncccc2F)c1
InChIInChI=1S/C16H16F2N4/c17-12-4-11(6-19-7-12)8-21-9-14-5-13(21)10-22(14)16-15(18)2-1-3-20-16/h1-4,6-7,13-14H,5,8-10H2
InChIKeyYMNODZQBFNSRKA-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.22
Rot. Bonds3

About 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 172900652) has the molecular formula C16H16F2N4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID172900652
Molecular FormulaC16H16F2N4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1cncc(CN2CC3CC2CN3c2ncccc2F)c1
InChIInChI=1S/C16H16F2N4/c17-12-4-11(6-19-7-12)8-21-9-14-5-13(21)10-22(14)16-15(18)2-1-3-20-16/h1-4,6-7,13-14H,5,8-10H2
InChIKeyYMNODZQBFNSRKA-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 172900652) is 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is Fc1cncc(CN2CC3CC2CN3c2ncccc2F)c1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is YMNODZQBFNSRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4/c17-12-4-11(6-19-7-12)8-21-9-14-5-13(21)10-22(14)16-15(18)2-1-3-20-16/h1-4,6-7,13-14H,5,8-10H2.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 302.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-5-[(5-fluoro-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 172900652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).