3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine

C15H14F2N2 — CID 91189528

IUPAC3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine
SMILESCC1N=C(c2ccc(F)c(F)c2)CC2=C1CN=CC2
InChIInChI=1S/C15H14F2N2/c1-9-12-8-18-5-4-10(12)7-15(19-9)11-2-3-13(16)14(17)6-11/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyZUKHUDFHVRICPU-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.32
Rot. Bonds1

About 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine

3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine (PubChem CID 91189528) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine
PubChem CID91189528
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine
SMILESCC1N=C(c2ccc(F)c(F)c2)CC2=C1CN=CC2
InChIInChI=1S/C15H14F2N2/c1-9-12-8-18-5-4-10(12)7-15(19-9)11-2-3-13(16)14(17)6-11/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyZUKHUDFHVRICPU-UHFFFAOYSA-N
XLogP3.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine (CID 91189528) is 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine is CC1N=C(c2ccc(F)c(F)c2)CC2=C1CN=CC2.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine?
The InChIKey is ZUKHUDFHVRICPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2/c1-9-12-8-18-5-4-10(12)7-15(19-9)11-2-3-13(16)14(17)6-11/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine?
3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine has a molecular weight of 260.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-methyl-1,4,5,8-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 91189528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).