methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate

C16H11ClN2O3 — CID 137305874

IUPACmethyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
SMILESCOC(=O)c1ncc2nc(-c3cccc(Cl)c3)ccc2c1O
InChIInChI=1S/C16H11ClN2O3/c1-22-16(21)14-15(20)11-5-6-12(19-13(11)8-18-14)9-3-2-4-10(17)7-9/h2-8,20H,1H3
InChIKeyLGUXGZFTMONPHB-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.44
Rot. Bonds2

About methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate

methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate (PubChem CID 137305874) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
PubChem CID137305874
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Namemethyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
SMILESCOC(=O)c1ncc2nc(-c3cccc(Cl)c3)ccc2c1O
InChIInChI=1S/C16H11ClN2O3/c1-22-16(21)14-15(20)11-5-6-12(19-13(11)8-18-14)9-3-2-4-10(17)7-9/h2-8,20H,1H3
InChIKeyLGUXGZFTMONPHB-UHFFFAOYSA-N
XLogP3.44
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
CID 174822215
methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate
CID 134280354
methyl 5-bromo-6-(3-chlorophenyl)pyrazine-2-carboxylate
CID 86682315
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226
methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate
CID 163955322
methyl 5-hydroxy-8-methyl-2-phenyl-1,7-naphthyridine-6-carboxylate
CID 140866878
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate
CID 168937747
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
methyl 2-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2221241
methyl 6-chloroisoquinoline-1-carboxylate
CID 82572070

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate (CID 137305874) is methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate is COC(=O)c1ncc2nc(-c3cccc(Cl)c3)ccc2c1O.
What is the InChIKey of methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate?
The InChIKey is LGUXGZFTMONPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c1-22-16(21)14-15(20)11-5-6-12(19-13(11)8-18-14)9-3-2-4-10(17)7-9/h2-8,20H,1H3.
What are the key properties of methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate?
methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate has a molecular weight of 314.73 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 137305874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).