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

C16H16F2N4 — CID 172900651

IUPAC2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1cccnc1CN1CC2CC1CN2c1ncccc1F
InChIInChI=1S/C16H16F2N4/c17-13-3-1-5-19-15(13)10-21-8-12-7-11(21)9-22(12)16-14(18)4-2-6-20-16/h1-6,11-12H,7-10H2
InChIKeyKWWZBQPKVBDZDA-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.22
Rot. Bonds3

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

2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 172900651) has the molecular formula C16H16F2N4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID172900651
Molecular FormulaC16H16F2N4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1cccnc1CN1CC2CC1CN2c1ncccc1F
InChIInChI=1S/C16H16F2N4/c17-13-3-1-5-19-15(13)10-21-8-12-7-11(21)9-22(12)16-14(18)4-2-6-20-16/h1-6,11-12H,7-10H2
InChIKeyKWWZBQPKVBDZDA-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-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 172900651) is 2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is Fc1cccnc1CN1CC2CC1CN2c1ncccc1F.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is KWWZBQPKVBDZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4/c17-13-3-1-5-19-15(13)10-21-8-12-7-11(21)9-22(12)16-14(18)4-2-6-20-16/h1-6,11-12H,7-10H2.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
2-(3-fluoro-2-pyridinyl)-5-[(3-fluoro-2-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-[(3-fluoro-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 172900651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).