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

C16H15FN2O2 — CID 139320924

IUPAC7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCc1cccc(N2CCc3cc(C(=O)O)ncc3C2)c1F
InChIInChI=1S/C16H15FN2O2/c1-10-3-2-4-14(15(10)17)19-6-5-11-7-13(16(20)21)18-8-12(11)9-19/h2-4,7-8H,5-6,9H2,1H3,(H,20,21)
InChIKeyRFCPTMAXWYAWDI-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.79
Rot. Bonds2

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

7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (PubChem CID 139320924) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
PubChem CID139320924
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCc1cccc(N2CCc3cc(C(=O)O)ncc3C2)c1F
InChIInChI=1S/C16H15FN2O2/c1-10-3-2-4-14(15(10)17)19-6-5-11-7-13(16(20)21)18-8-12(11)9-19/h2-4,7-8H,5-6,9H2,1H3,(H,20,21)
InChIKeyRFCPTMAXWYAWDI-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320854
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
ethyl 7-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619963
7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139321031
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
1-methyl-2,3-dihydropyrrolo[3,2-c]pyridine-6-carboxylic acid
CID 84656375
7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 142619952
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
CID 155143574
ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619982
7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 139320885

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (CID 139320924) is 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is Cc1cccc(N2CCc3cc(C(=O)O)ncc3C2)c1F.
What is the InChIKey of 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The InChIKey is RFCPTMAXWYAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-3-2-4-14(15(10)17)19-6-5-11-7-13(16(20)21)18-8-12(11)9-19/h2-4,7-8H,5-6,9H2,1H3,(H,20,21).
What are the key properties of 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139320924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).