methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate

C16H14N4O3 — CID 118167810

IUPACmethyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cn[nH]n2)cnc1OCc1ccccc1
InChIInChI=1S/C16H14N4O3/c1-22-16(21)13-7-12(14-9-18-20-19-14)8-17-15(13)23-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyNMJROBWUEAOVBS-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate

methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate (PubChem CID 118167810) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate
PubChem CID118167810
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Namemethyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cn[nH]n2)cnc1OCc1ccccc1
InChIInChI=1S/C16H14N4O3/c1-22-16(21)13-7-12(14-9-18-20-19-14)8-17-15(13)23-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyNMJROBWUEAOVBS-UHFFFAOYSA-N
XLogP2.23
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-phenylmethoxypyridine-3-carboxylate
CID 144867120
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate
CID 67476701
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
diphenyl 5-(2H-triazol-4-yl)benzene-1,3-dicarboxylate
CID 175158628
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 6-phenylmethoxy-1H-indole-4-carboxylate
CID 138110778
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate (CID 118167810) is methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate is COC(=O)c1cc(-c2cn[nH]n2)cnc1OCc1ccccc1.
What is the InChIKey of methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate?
The InChIKey is NMJROBWUEAOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-22-16(21)13-7-12(14-9-18-20-19-14)8-17-15(13)23-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,20).
What are the key properties of methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate?
methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 118167810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).