3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

C9H10F2N2 — CID 89389298

IUPAC3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESFC(F)c1cnc2c(c1)CNCC2
InChIInChI=1S/C9H10F2N2/c10-9(11)7-3-6-4-12-2-1-8(6)13-5-7/h3,5,9,12H,1-2,4H2
InChIKeyUGNHGIACSUWGOO-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.66
Rot. Bonds1

About 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 89389298) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID89389298
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESFC(F)c1cnc2c(c1)CNCC2
InChIInChI=1S/C9H10F2N2/c10-9(11)7-3-6-4-12-2-1-8(6)13-5-7/h3,5,9,12H,1-2,4H2
InChIKeyUGNHGIACSUWGOO-UHFFFAOYSA-N
XLogP1.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 89389298) is 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is FC(F)c1cnc2c(c1)CNCC2.
What is the InChIKey of 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is UGNHGIACSUWGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2/c10-9(11)7-3-6-4-12-2-1-8(6)13-5-7/h3,5,9,12H,1-2,4H2.
What are the key properties of 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 184.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 89389298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).