methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate

C11H9ClN2O3 — CID 142496373

IUPACmethyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(OC)c(Cl)cc2c1
InChIInChI=1S/C11H9ClN2O3/c1-16-10-8(12)4-6-3-7(11(15)17-2)5-13-9(6)14-10/h3-5H,1-2H3
InChIKeyNCVJWTXXDYXDCL-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.08
Rot. Bonds2

About methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate

methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate (PubChem CID 142496373) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate
PubChem CID142496373
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Namemethyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(OC)c(Cl)cc2c1
InChIInChI=1S/C11H9ClN2O3/c1-16-10-8(12)4-6-3-7(11(15)17-2)5-13-9(6)14-10/h3-5H,1-2H3
InChIKeyNCVJWTXXDYXDCL-UHFFFAOYSA-N
XLogP2.08
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849981
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
tert-butyl 5-chloro-6-methoxypyridine-3-carboxylate
CID 133063146
methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate
CID 129247510
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
methyl 3-chloro-4-(2,4-dimethoxypyrimidin-5-yl)benzoate
CID 67256583
methyl 6-methoxy-5-phenylpyridine-3-carboxylate
CID 86104556
methyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71433321
methyl [1,2,5]selenadiazolo[3,4-b]pyridine-6-carboxylate
CID 166001529
methyl 2-(1-chloroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 104663584

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate (CID 142496373) is methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate is COC(=O)c1cnc2nc(OC)c(Cl)cc2c1.
What is the InChIKey of methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate?
The InChIKey is NCVJWTXXDYXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-16-10-8(12)4-6-3-7(11(15)17-2)5-13-9(6)14-10/h3-5H,1-2H3.
What are the key properties of methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate?
methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate has a molecular weight of 252.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 142496373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).