methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate

C14H13NO3 — CID 155269056

IUPACmethyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(O)c2ccccc2)n1
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-9-5-8-11(15-12)13(16)10-6-3-2-4-7-10/h2-9,13,16H,1H3
InChIKeyCIMVGHRBJYUCIE-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.95
Rot. Bonds3

About methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate

methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate (PubChem CID 155269056) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate
PubChem CID155269056
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(O)c2ccccc2)n1
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-9-5-8-11(15-12)13(16)10-6-3-2-4-7-10/h2-9,13,16H,1H3
InChIKeyCIMVGHRBJYUCIE-UHFFFAOYSA-N
XLogP1.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate (CID 155269056) is methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(O)c2ccccc2)n1.
What is the InChIKey of methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate?
The InChIKey is CIMVGHRBJYUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)12-9-5-8-11(15-12)13(16)10-6-3-2-4-7-10/h2-9,13,16H,1H3.
What are the key properties of methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate?
methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 155269056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).