4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid

C21H10F4N2O2 — CID 25114770

IUPAC4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)c2ccnc(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C21H10F4N2O2/c22-10-4-5-11(16(25)8-10)13-9-17(21(28)29)27-19-12(13)6-7-26-20(19)18-14(23)2-1-3-15(18)24/h1-9H,(H,28,29)
InChIKeyQFFYIBRCRLMCCQ-UHFFFAOYSA-N
MW398.32 g/mol
LogP5.22
Rot. Bonds3

About 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid

4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid (PubChem CID 25114770) has the molecular formula C21H10F4N2O2 and a molecular weight of 398.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid
PubChem CID25114770
Molecular FormulaC21H10F4N2O2
Molecular Weight398.32 g/mol
Exact Mass398.07
IUPAC Name4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)c2ccnc(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C21H10F4N2O2/c22-10-4-5-11(16(25)8-10)13-9-17(21(28)29)27-19-12(13)6-7-26-20(19)18-14(23)2-1-3-15(18)24/h1-9H,(H,28,29)
InChIKeyQFFYIBRCRLMCCQ-UHFFFAOYSA-N
XLogP5.22
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid (CID 25114770) is 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2F)c2ccnc(-c3c(F)cccc3F)c2n1.
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid?
The InChIKey is QFFYIBRCRLMCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F4N2O2/c22-10-4-5-11(16(25)8-10)13-9-17(21(28)29)27-19-12(13)6-7-26-20(19)18-14(23)2-1-3-15(18)24/h1-9H,(H,28,29).
What are the key properties of 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid?
4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid has a molecular weight of 398.32 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 25114770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).