methyl 6-methoxy-5-phenylpyridine-3-carboxylate

C14H13NO3 — CID 86104556

IUPACmethyl 6-methoxy-5-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC)c(-c2ccccc2)c1
InChIInChI=1S/C14H13NO3/c1-17-13-12(10-6-4-3-5-7-10)8-11(9-15-13)14(16)18-2/h3-9H,1-2H3
InChIKeyNHQGJDWQWDHOFV-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.54
Rot. Bonds3

About methyl 6-methoxy-5-phenylpyridine-3-carboxylate

methyl 6-methoxy-5-phenylpyridine-3-carboxylate (PubChem CID 86104556) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 6-methoxy-5-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-5-phenylpyridine-3-carboxylate
PubChem CID86104556
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 6-methoxy-5-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC)c(-c2ccccc2)c1
InChIInChI=1S/C14H13NO3/c1-17-13-12(10-6-4-3-5-7-10)8-11(9-15-13)14(16)18-2/h3-9H,1-2H3
InChIKeyNHQGJDWQWDHOFV-UHFFFAOYSA-N
XLogP2.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-5-phenylpyridine-3-carboxylic acid
CID 46315030
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201
2-methoxy-5-methyl-3-phenylpyridine
CID 46315016
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate
CID 90046409
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
tert-butyl 4-(5-methoxycarbonyl-3-phenyl-2-pyridinyl)piperazine-1-carboxylate
CID 59427561
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
CID 133086893

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-5-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 6-methoxy-5-phenylpyridine-3-carboxylate (CID 86104556) is methyl 6-methoxy-5-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-5-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-5-phenylpyridine-3-carboxylate is COC(=O)c1cnc(OC)c(-c2ccccc2)c1.
What is the InChIKey of methyl 6-methoxy-5-phenylpyridine-3-carboxylate?
The InChIKey is NHQGJDWQWDHOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13-12(10-6-4-3-5-7-10)8-11(9-15-13)14(16)18-2/h3-9H,1-2H3.
What are the key properties of methyl 6-methoxy-5-phenylpyridine-3-carboxylate?
methyl 6-methoxy-5-phenylpyridine-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-5-phenylpyridine-3-carboxylate is sourced from PubChem (CID 86104556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).