2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine

C13H8F3N3 — CID 58213640

IUPAC2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine
SMILESNc1nc2ccccc2c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C13H8F3N3/c14-13(15,16)7-5-9-8-3-1-2-4-10(8)19-12(17)11(9)18-6-7/h1-6H,(H2,17,19)
InChIKeyDEIKUJNRFJEVLH-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.38
Rot. Bonds

About 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine

2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine (PubChem CID 58213640) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine
PubChem CID58213640
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine
SMILESNc1nc2ccccc2c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C13H8F3N3/c14-13(15,16)7-5-9-8-3-1-2-4-10(8)19-12(17)11(9)18-6-7/h1-6H,(H2,17,19)
InChIKeyDEIKUJNRFJEVLH-UHFFFAOYSA-N
XLogP3.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine (CID 58213640) is 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine is Nc1nc2ccccc2c2cc(C(F)(F)F)cnc12.
What is the InChIKey of 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is DEIKUJNRFJEVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)7-5-9-8-3-1-2-4-10(8)19-12(17)11(9)18-6-7/h1-6H,(H2,17,19).
What are the key properties of 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine?
2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 263.22 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 58213640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).