2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane

C19H20BrFN2O2 — CID 144674868

IUPAC2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane
SMILESCC.CC.O=C(O)c1cc(-c2ccc(Br)c(F)c2)nc2ccncc12
InChIInChI=1S/C15H8BrFN2O2.2C2H6/c16-11-2-1-8(5-12(11)17)14-6-9(15(20)21)10-7-18-4-3-13(10)19-14;2*1-2/h1-7H,(H,20,21);2*1-2H3
InChIKeyHYVSBSLOGLMFTL-UHFFFAOYSA-N
MW407.28 g/mol
LogP5.95
Rot. Bonds2

About 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane

2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane (PubChem CID 144674868) has the molecular formula C19H20BrFN2O2 and a molecular weight of 407.28 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane
PubChem CID144674868
Molecular FormulaC19H20BrFN2O2
Molecular Weight407.28 g/mol
Exact Mass406.07
IUPAC Name2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane
SMILESCC.CC.O=C(O)c1cc(-c2ccc(Br)c(F)c2)nc2ccncc12
InChIInChI=1S/C15H8BrFN2O2.2C2H6/c16-11-2-1-8(5-12(11)17)14-6-9(15(20)21)10-7-18-4-3-13(10)19-14;2*1-2/h1-7H,(H,20,21);2*1-2H3
InChIKeyHYVSBSLOGLMFTL-UHFFFAOYSA-N
XLogP5.95
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.28
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-7-fluoro-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 61357543
1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
CID 145465231
N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide
CID 161000215
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
CID 144675088
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate
CID 160850960
4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741529
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073489

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane (CID 144674868) is 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane is CC.CC.O=C(O)c1cc(-c2ccc(Br)c(F)c2)nc2ccncc12.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane?
The InChIKey is HYVSBSLOGLMFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN2O2.2C2H6/c16-11-2-1-8(5-12(11)17)14-6-9(15(20)21)10-7-18-4-3-13(10)19-14;2*1-2/h1-7H,(H,20,21);2*1-2H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane?
2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane has a molecular weight of 407.28 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane is sourced from PubChem (CID 144674868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).