trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide

C8H7BF3N2O- — CID 167722785

IUPACtrifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide
SMILESO=C1CCc2cc([B-](F)(F)F)cnc2N1
InChIInChI=1S/C8H7BF3N2O/c10-9(11,12)6-3-5-1-2-7(15)14-8(5)13-4-6/h3-4H,1-2H2,(H,13,14,15)/q-1
InChIKeyOTABHZKDDKTFKI-UHFFFAOYSA-N
MW214.96 g/mol
LogP1.02
Rot. Bonds1

About trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide

trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide (PubChem CID 167722785) has the molecular formula C8H7BF3N2O- and a molecular weight of 214.96 g/mol. Its IUPAC name is trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide
PubChem CID167722785
Molecular FormulaC8H7BF3N2O-
Molecular Weight214.96 g/mol
Exact Mass215.06
IUPAC Nametrifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide
SMILESO=C1CCc2cc([B-](F)(F)F)cnc2N1
InChIInChI=1S/C8H7BF3N2O/c10-9(11,12)6-3-5-1-2-7(15)14-8(5)13-4-6/h3-4H,1-2H2,(H,13,14,15)/q-1
InChIKeyOTABHZKDDKTFKI-UHFFFAOYSA-N
XLogP1.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.96
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 20752822
ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143766696
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
CID 155892914
3-methyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 142820616
6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 167066836
6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 155009311
3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)but-2-enoic acid;hydrochloride
CID 66905049
2-tert-butyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)but-2-enoic acid
CID 66905252
6-[3-(azetidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 70926898
6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 142286130
hydron;pyrrolidine-2,5-dione;tetrafluoroborate
CID 174783569
2-[1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 166296162

Frequently Asked Questions

What is the IUPAC name of trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide?
The IUPAC name of trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide (CID 167722785) is trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide.
What is the SMILES notation for trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide?
The canonical SMILES for trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide is O=C1CCc2cc([B-](F)(F)F)cnc2N1.
What is the InChIKey of trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide?
The InChIKey is OTABHZKDDKTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BF3N2O/c10-9(11,12)6-3-5-1-2-7(15)14-8(5)13-4-6/h3-4H,1-2H2,(H,13,14,15)/q-1.
What are the key properties of trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide?
trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide has a molecular weight of 214.96 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide is sourced from PubChem (CID 167722785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).