methyl 3-hydroxy-5-phenylpyridine-2-carboxylate

C13H11NO3 — CID 16681140

IUPACmethyl 3-hydroxy-5-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccccc2)cc1O
InChIInChI=1S/C13H11NO3/c1-17-13(16)12-11(15)7-10(8-14-12)9-5-3-2-4-6-9/h2-8,15H,1H3
InChIKeyAPCPNNVKURSBCG-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.24
Rot. Bonds2

About methyl 3-hydroxy-5-phenylpyridine-2-carboxylate

methyl 3-hydroxy-5-phenylpyridine-2-carboxylate (PubChem CID 16681140) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 3-hydroxy-5-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-phenylpyridine-2-carboxylate
PubChem CID16681140
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Namemethyl 3-hydroxy-5-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccccc2)cc1O
InChIInChI=1S/C13H11NO3/c1-17-13(16)12-11(15)7-10(8-14-12)9-5-3-2-4-6-9/h2-8,15H,1H3
InChIKeyAPCPNNVKURSBCG-UHFFFAOYSA-N
XLogP2.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
ethane;5-(3-phenylphenyl)-2-prop-1-en-2-ylpyridin-3-ol
CID 168937750
methyl 3-phenylquinoline-5-carboxylate
CID 15789216
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate
CID 168937798
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate
CID 66971768
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718
5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea
CID 67212196
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
CID 175789553

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-phenylpyridine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-5-phenylpyridine-2-carboxylate (CID 16681140) is methyl 3-hydroxy-5-phenylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-5-phenylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-5-phenylpyridine-2-carboxylate is COC(=O)c1ncc(-c2ccccc2)cc1O.
What is the InChIKey of methyl 3-hydroxy-5-phenylpyridine-2-carboxylate?
The InChIKey is APCPNNVKURSBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13(16)12-11(15)7-10(8-14-12)9-5-3-2-4-6-9/h2-8,15H,1H3.
What are the key properties of methyl 3-hydroxy-5-phenylpyridine-2-carboxylate?
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-phenylpyridine-2-carboxylate is sourced from PubChem (CID 16681140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).