methyl 5-phenylmethoxypyridine-3-carboxylate

C14H13NO3 — CID 57421820

IUPACmethyl 5-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C14H13NO3/c1-17-14(16)12-7-13(9-15-8-12)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyALFRUJCNWFGWTG-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.45
Rot. Bonds4

About methyl 5-phenylmethoxypyridine-3-carboxylate

methyl 5-phenylmethoxypyridine-3-carboxylate (PubChem CID 57421820) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 5-phenylmethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenylmethoxypyridine-3-carboxylate
PubChem CID57421820
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 5-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C14H13NO3/c1-17-14(16)12-7-13(9-15-8-12)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyALFRUJCNWFGWTG-UHFFFAOYSA-N
XLogP2.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-phenylmethoxyquinoline-7-carboxylate
CID 166128416
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
tert-butyl (E)-3-amino-3-(5-phenylmethoxy-3-pyridinyl)prop-2-enoate
CID 71259022
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenylmethoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-phenylmethoxypyridine-3-carboxylate (CID 57421820) is methyl 5-phenylmethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-phenylmethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-phenylmethoxypyridine-3-carboxylate is COC(=O)c1cncc(OCc2ccccc2)c1.
What is the InChIKey of methyl 5-phenylmethoxypyridine-3-carboxylate?
The InChIKey is ALFRUJCNWFGWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-14(16)12-7-13(9-15-8-12)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 5-phenylmethoxypyridine-3-carboxylate?
methyl 5-phenylmethoxypyridine-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenylmethoxypyridine-3-carboxylate is sourced from PubChem (CID 57421820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).