methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate

C14H13NO3 — CID 69489732

IUPACmethyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate
SMILESCOC(=O)c1cccc(-c2ccnc(CO)c2)c1
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-4-2-3-10(7-12)11-5-6-15-13(8-11)9-16/h2-8,16H,9H2,1H3
InChIKeyDPKFMXPSGWFMNF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.03
Rot. Bonds3

About methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate

methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate (PubChem CID 69489732) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate
PubChem CID69489732
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate
SMILESCOC(=O)c1cccc(-c2ccnc(CO)c2)c1
InChIInChI=1S/C14H13NO3/c1-18-14(17)12-4-2-3-10(7-12)11-5-6-15-13(8-11)9-16/h2-8,16H,9H2,1H3
InChIKeyDPKFMXPSGWFMNF-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
CID 39773386
methyl 4-(3-acetylphenyl)pyridine-2-carboxylate
CID 164543652
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 50998562
methyl (2S)-2-amino-3-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]propanoate
CID 66719274
CID 70265363
CID 70265363
CID 159558349
CID 159558349

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate?
The IUPAC name of methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate (CID 69489732) is methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate.
What is the SMILES notation for methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate?
The canonical SMILES for methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate is COC(=O)c1cccc(-c2ccnc(CO)c2)c1.
What is the InChIKey of methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate?
The InChIKey is DPKFMXPSGWFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)12-4-2-3-10(7-12)11-5-6-15-13(8-11)9-16/h2-8,16H,9H2,1H3.
What are the key properties of methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate?
methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate has a molecular weight of 243.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate is sourced from PubChem (CID 69489732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).