methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate

C14H13NO3 — CID 10657848

IUPACmethyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc([C@H](O)c2ccccc2)cn1
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-8-7-11(9-15-12)13(16)10-5-3-2-4-6-10/h2-9,13,16H,1H3/t13-/m1/s1
InChIKeyOYECEMYHIYCSDK-CYBMUJFWSA-N
MW243.26 g/mol
LogP1.95
Rot. Bonds3

About methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate

methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate (PubChem CID 10657848) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate
PubChem CID10657848
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc([C@H](O)c2ccccc2)cn1
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-8-7-11(9-15-12)13(16)10-5-3-2-4-6-10/h2-9,13,16H,1H3/t13-/m1/s1
InChIKeyOYECEMYHIYCSDK-CYBMUJFWSA-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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Related Compounds

CID 3442
CID 3442
CID 8693
CID 8693
CID 124656
CID 124656
CID 314992
CID 314992
CID 3043792
CID 3043792
CID 120118
CID 120118
CID 725374
CID 725374
CID 234911
CID 234911
CID 69058
CID 69058
CID 25138011
CID 25138011
CID 824599
CID 824599
CID 254728
CID 254728

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate (CID 10657848) is methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate is COC(=O)c1ccc([C@H](O)c2ccccc2)cn1.
What is the InChIKey of methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate?
The InChIKey is OYECEMYHIYCSDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)12-8-7-11(9-15-12)13(16)10-5-3-2-4-6-10/h2-9,13,16H,1H3/t13-/m1/s1.
What are the key properties of methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate?
methyl 5-[(R)-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 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 10657848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).