3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine

C20H16FN3 — CID 122588253

IUPAC3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccccc2F)cc1-c1ccc2c(c1)CCN=C2
InChIInChI=1S/C20H16FN3/c21-19-4-2-1-3-17(19)16-10-18(20(22)24-12-16)14-5-6-15-11-23-8-7-13(15)9-14/h1-6,9-12H,7-8H2,(H2,22,24)
InChIKeyPBDPBVMTFAEJGI-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.11
Rot. Bonds2

About 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine

3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine (PubChem CID 122588253) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine
PubChem CID122588253
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccccc2F)cc1-c1ccc2c(c1)CCN=C2
InChIInChI=1S/C20H16FN3/c21-19-4-2-1-3-17(19)16-10-18(20(22)24-12-16)14-5-6-15-11-23-8-7-13(15)9-14/h1-6,9-12H,7-8H2,(H2,22,24)
InChIKeyPBDPBVMTFAEJGI-UHFFFAOYSA-N
XLogP4.11
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine?
The IUPAC name of 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine (CID 122588253) is 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine is Nc1ncc(-c2ccccc2F)cc1-c1ccc2c(c1)CCN=C2.
What is the InChIKey of 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine?
The InChIKey is PBDPBVMTFAEJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c21-19-4-2-1-3-17(19)16-10-18(20(22)24-12-16)14-5-6-15-11-23-8-7-13(15)9-14/h1-6,9-12H,7-8H2,(H2,22,24).
What are the key properties of 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine?
3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine has a molecular weight of 317.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroisoquinolin-6-yl)-5-(2-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 122588253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).