7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

C15H12F2N2O2 — CID 139320887

IUPAC7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)CN(c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C15H12F2N2O2/c16-12-2-1-11(6-13(12)17)19-4-3-9-5-14(15(20)21)18-7-10(9)8-19/h1-2,5-7H,3-4,8H2,(H,20,21)
InChIKeyCGKLJFZUOXVORG-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.62
Rot. Bonds2

About 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (PubChem CID 139320887) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
PubChem CID139320887
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)CN(c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C15H12F2N2O2/c16-12-2-1-11(6-13(12)17)19-4-3-9-5-14(15(20)21)18-7-10(9)8-19/h1-2,5-7H,3-4,8H2,(H,20,21)
InChIKeyCGKLJFZUOXVORG-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.62
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-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
ethyl 7-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619963
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-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
3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
CID 155143574
N-(3-chloro-4-fluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109213897
2-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 136549310
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-fluorobenzenecarbothioamide
CID 115367814

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (CID 139320887) is 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is O=C(O)c1cc2c(cn1)CN(c1ccc(F)c(F)c1)CC2.
What is the InChIKey of 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The InChIKey is CGKLJFZUOXVORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-12-2-1-11(6-13(12)17)19-4-3-9-5-14(15(20)21)18-7-10(9)8-19/h1-2,5-7H,3-4,8H2,(H,20,21).
What are the key properties of 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139320887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).