4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid

C21H13ClN2O2 — CID 10451184

IUPAC4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H13ClN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-12H,(H,25,26)
InChIKeyWYEOCWCFOOXSMR-UHFFFAOYSA-N
MW360.80 g/mol
LogP5.32
Rot. Bonds3

About 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid

4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid (PubChem CID 10451184) has the molecular formula C21H13ClN2O2 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid.

Molecular Properties

Compound Name4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid
PubChem CID10451184
Molecular FormulaC21H13ClN2O2
Molecular Weight360.80 g/mol
Exact Mass360.07
IUPAC Name4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H13ClN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-12H,(H,25,26)
InChIKeyWYEOCWCFOOXSMR-UHFFFAOYSA-N
XLogP5.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.80
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-(3-Nitrophenyl)-(1,7)naphthyridin-6-yl)benzoic acid
CID 9999276
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253151
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
6-Chloro-8-quinolinecarboxylic acid
CID 165492
4-[2-(3-Chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
CID 169408355
2-([1,1'-Biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
CID 133107895
5-(3-Chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57399601
6-(4-Carboxyphenyl)-8-(3-cyanophenyl)-1,7-naphthyridine
CID 9928390
4-[8-(3-Chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid
CID 10109508
5-(4-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252842
5-(3-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252992

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid?
The IUPAC name of 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid (CID 10451184) is 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid.
What is the SMILES notation for 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid?
The canonical SMILES for 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid is O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid?
The InChIKey is WYEOCWCFOOXSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-12H,(H,25,26).
What are the key properties of 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid?
4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid has a molecular weight of 360.80 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]benzoic acid is sourced from PubChem (CID 10451184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).