7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

C15H13FN2O2 — CID 139320854

IUPAC7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)CN(c1cccc(F)c1)CC2
InChIInChI=1S/C15H13FN2O2/c16-12-2-1-3-13(7-12)18-5-4-10-6-14(15(19)20)17-8-11(10)9-18/h1-3,6-8H,4-5,9H2,(H,19,20)
InChIKeyZIXYEFYGEKLFQP-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.48
Rot. Bonds2

About 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (PubChem CID 139320854) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
PubChem CID139320854
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)CN(c1cccc(F)c1)CC2
InChIInChI=1S/C15H13FN2O2/c16-12-2-1-3-13(7-12)18-5-4-10-6-14(15(19)20)17-8-11(10)9-18/h1-3,6-8H,4-5,9H2,(H,19,20)
InChIKeyZIXYEFYGEKLFQP-UHFFFAOYSA-N
XLogP2.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320887
7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320916
7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320924
6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 167900008
7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 142619952
7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139321031
ethyl 7-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619963
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109213927
3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
CID 155143574
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109213889
5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 115043942
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (CID 139320854) is 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is O=C(O)c1cc2c(cn1)CN(c1cccc(F)c1)CC2.
What is the InChIKey of 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The InChIKey is ZIXYEFYGEKLFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-12-2-1-3-13(7-12)18-5-4-10-6-14(15(19)20)17-8-11(10)9-18/h1-3,6-8H,4-5,9H2,(H,19,20).
What are the key properties of 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139320854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).