methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate

C18H15NO3S — CID 175233380

IUPACmethyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(OCc3ccccc3)cs2)nc1
InChIInChI=1S/C18H15NO3S/c1-21-18(20)14-7-8-16(19-10-14)17-9-15(12-23-17)22-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyCXXFXZQVPHNXAN-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.18
Rot. Bonds5

About methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate

methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate (PubChem CID 175233380) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate
PubChem CID175233380
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Namemethyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(OCc3ccccc3)cs2)nc1
InChIInChI=1S/C18H15NO3S/c1-21-18(20)14-7-8-16(19-10-14)17-9-15(12-23-17)22-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyCXXFXZQVPHNXAN-UHFFFAOYSA-N
XLogP4.18
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone
CID 174443968
2-[[2-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]acetyl]amino]benzoic acid
CID 174436321
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 3-phenylmethoxyquinoline-7-carboxylate
CID 166128416
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
methyl 4-[[3-[(1S)-1-phenylethyl]phenoxy]methyl]benzoate
CID 144638944
methyl 3-(4-phenylmethoxyphenoxy)-1-benzothiophene-6-carboxylate
CID 168874106

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate (CID 175233380) is methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate is COC(=O)c1ccc(-c2cc(OCc3ccccc3)cs2)nc1.
What is the InChIKey of methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate?
The InChIKey is CXXFXZQVPHNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-21-18(20)14-7-8-16(19-10-14)17-9-15(12-23-17)22-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate?
methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 175233380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).