methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate

C16H13NO3S — CID 18516285

IUPACmethyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(OCc3ccccc3)cncc2s1
InChIInChI=1S/C16H13NO3S/c1-19-16(18)14-7-12-13(8-17-9-15(12)21-14)20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyKHCHDNKRYJDXCS-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.66
Rot. Bonds4

About methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate

methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate (PubChem CID 18516285) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate
PubChem CID18516285
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Namemethyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(OCc3ccccc3)cncc2s1
InChIInChI=1S/C16H13NO3S/c1-19-16(18)14-7-12-13(8-17-9-15(12)21-14)20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyKHCHDNKRYJDXCS-UHFFFAOYSA-N
XLogP3.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate (CID 18516285) is methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(OCc3ccccc3)cncc2s1.
What is the InChIKey of methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is KHCHDNKRYJDXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-19-16(18)14-7-12-13(8-17-9-15(12)21-14)20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate?
methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenylmethoxythieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 18516285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).