2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile

C18H8F7N3 — CID 4587983

IUPAC2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(c1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C18H8F7N3/c19-10-3-1-9(2-4-10)12(8-26)14-6-5-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H
InChIKeyRBXVTVGCTDVUME-UHFFFAOYSA-N
MW399.27 g/mol
LogP5.46
Rot. Bonds2

About 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile

2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile (PubChem CID 4587983) has the molecular formula C18H8F7N3 and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile
PubChem CID4587983
Molecular FormulaC18H8F7N3
Molecular Weight399.27 g/mol
Exact Mass399.06
IUPAC Name2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(c1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C18H8F7N3/c19-10-3-1-9(2-4-10)12(8-26)14-6-5-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H
InChIKeyRBXVTVGCTDVUME-UHFFFAOYSA-N
XLogP5.46
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.27
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile (CID 4587983) is 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile is N#CC(c1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1.
What is the InChIKey of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile?
The InChIKey is RBXVTVGCTDVUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F7N3/c19-10-3-1-9(2-4-10)12(8-26)14-6-5-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H.
What are the key properties of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile?
2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile has a molecular weight of 399.27 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 4587983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).