2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine

C15H10F3N3 — CID 11197005

IUPAC2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccncc12
InChIInChI=1S/C15H10F3N3/c16-15(17,18)10-3-1-9(2-4-10)14-7-12(19)11-8-20-6-5-13(11)21-14/h1-8H,(H2,19,21)
InChIKeyBGGBOTXCRITZOG-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.90
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine

2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine (PubChem CID 11197005) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine
PubChem CID11197005
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccncc12
InChIInChI=1S/C15H10F3N3/c16-15(17,18)10-3-1-9(2-4-10)14-7-12(19)11-8-20-6-5-13(11)21-14/h1-8H,(H2,19,21)
InChIKeyBGGBOTXCRITZOG-UHFFFAOYSA-N
XLogP3.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine (CID 11197005) is 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine is Nc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccncc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine?
The InChIKey is BGGBOTXCRITZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)10-3-1-9(2-4-10)14-7-12(19)11-8-20-6-5-13(11)21-14/h1-8H,(H2,19,21).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine?
2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine has a molecular weight of 289.26 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine is sourced from PubChem (CID 11197005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).