5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline

C14H13FN2 — CID 56861224

IUPAC5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cnccc1-c1cccc2c1CCNC2
InChIInChI=1S/C14H13FN2/c15-14-9-17-7-5-13(14)12-3-1-2-10-8-16-6-4-11(10)12/h1-3,5,7,9,16H,4,6,8H2
InChIKeyPONAYBBQEOXWFA-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.53
Rot. Bonds1

About 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline

5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56861224) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID56861224
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cnccc1-c1cccc2c1CCNC2
InChIInChI=1S/C14H13FN2/c15-14-9-17-7-5-13(14)12-3-1-2-10-8-16-6-4-11(10)12/h1-3,5,7,9,16H,4,6,8H2
InChIKeyPONAYBBQEOXWFA-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline (CID 56861224) is 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline is Fc1cnccc1-c1cccc2c1CCNC2.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PONAYBBQEOXWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-14-9-17-7-5-13(14)12-3-1-2-10-8-16-6-4-11(10)12/h1-3,5,7,9,16H,4,6,8H2.
What are the key properties of 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 228.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56861224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).