2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine

C30H20F2N6 — CID 102367352

IUPAC2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine
SMILESFC(c1ccccn1)(c1ccccn1)c1ccc2ccc(C(F)(c3ccccn3)c3ccccn3)nc2n1
InChIInChI=1S/C30H20F2N6/c31-29(22-9-1-5-17-33-22,23-10-2-6-18-34-23)26-15-13-21-14-16-27(38-28(21)37-26)30(32,24-11-3-7-19-35-24)25-12-4-8-20-36-25/h1-20H
InChIKeyHXGPBZKGPPZSGX-UHFFFAOYSA-N
MW502.53 g/mol
LogP5.73
Rot. Bonds6

About 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine

2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine (PubChem CID 102367352) has the molecular formula C30H20F2N6 and a molecular weight of 502.53 g/mol. Its IUPAC name is 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine
PubChem CID102367352
Molecular FormulaC30H20F2N6
Molecular Weight502.53 g/mol
Exact Mass502.17
IUPAC Name2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine
SMILESFC(c1ccccn1)(c1ccccn1)c1ccc2ccc(C(F)(c3ccccn3)c3ccccn3)nc2n1
InChIInChI=1S/C30H20F2N6/c31-29(22-9-1-5-17-33-22,23-10-2-6-18-34-23)26-15-13-21-14-16-27(38-28(21)37-26)30(32,24-11-3-7-19-35-24)25-12-4-8-20-36-25/h1-20H
InChIKeyHXGPBZKGPPZSGX-UHFFFAOYSA-N
XLogP5.73
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.53
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine?
The IUPAC name of 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine (CID 102367352) is 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine.
What is the SMILES notation for 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine?
The canonical SMILES for 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine is FC(c1ccccn1)(c1ccccn1)c1ccc2ccc(C(F)(c3ccccn3)c3ccccn3)nc2n1.
What is the InChIKey of 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine?
The InChIKey is HXGPBZKGPPZSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2N6/c31-29(22-9-1-5-17-33-22,23-10-2-6-18-34-23)26-15-13-21-14-16-27(38-28(21)37-26)30(32,24-11-3-7-19-35-24)25-12-4-8-20-36-25/h1-20H.
What are the key properties of 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine?
2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine has a molecular weight of 502.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[fluoro(dipyridin-2-yl)methyl]-1,8-naphthyridine is sourced from PubChem (CID 102367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).