6-benzylthieno[3,2-c]pyridine;ethyl formate

C17H17NO2S — CID 155233699

IUPAC6-benzylthieno[3,2-c]pyridine;ethyl formate
SMILESCCOC=O.c1ccc(Cc2cc3sccc3cn2)cc1
InChIInChI=1S/C14H11NS.C3H6O2/c1-2-4-11(5-3-1)8-13-9-14-12(10-15-13)6-7-16-14;1-2-5-3-4/h1-7,9-10H,8H2;3H,2H2,1H3
InChIKeyMRTVUUUZRANFNT-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.07
Rot. Bonds4

About 6-benzylthieno[3,2-c]pyridine;ethyl formate

6-benzylthieno[3,2-c]pyridine;ethyl formate (PubChem CID 155233699) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-benzylthieno[3,2-c]pyridine;ethyl formate.

Molecular Properties

Compound Name6-benzylthieno[3,2-c]pyridine;ethyl formate
PubChem CID155233699
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name6-benzylthieno[3,2-c]pyridine;ethyl formate
SMILESCCOC=O.c1ccc(Cc2cc3sccc3cn2)cc1
InChIInChI=1S/C14H11NS.C3H6O2/c1-2-4-11(5-3-1)8-13-9-14-12(10-15-13)6-7-16-14;1-2-5-3-4/h1-7,9-10H,8H2;3H,2H2,1H3
InChIKeyMRTVUUUZRANFNT-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11500781
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11551351
Benzo[B]thiophene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-
CID 11580426
Benzo(b)thiophene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)-
CID 11580427
rac-N,N-dimethyl-2-(3-(1-(6-methylpyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11681378
rac-N,N-dimethyl-2-(3-(1-(4-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11702578
2-(Benzo(b)thiophen-2-yl)pyridine
CID 11505853
(-)-(R)-N,N-dimethyl-2-(3-(1-(2-methylpyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 46884155
1-methyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]pyridin-1-ium iodide
CID 46906798
5-Phenyl-2-thiophen-2-yl-pyridine
CID 10354153
6-Methylthieno[3,2-c]pyridine
CID 288033
2-(3-Phenylthiophen-2-yl)pyridine
CID 101456117

Frequently Asked Questions

What is the IUPAC name of 6-benzylthieno[3,2-c]pyridine;ethyl formate?
The IUPAC name of 6-benzylthieno[3,2-c]pyridine;ethyl formate (CID 155233699) is 6-benzylthieno[3,2-c]pyridine;ethyl formate.
What is the SMILES notation for 6-benzylthieno[3,2-c]pyridine;ethyl formate?
The canonical SMILES for 6-benzylthieno[3,2-c]pyridine;ethyl formate is CCOC=O.c1ccc(Cc2cc3sccc3cn2)cc1.
What is the InChIKey of 6-benzylthieno[3,2-c]pyridine;ethyl formate?
The InChIKey is MRTVUUUZRANFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS.C3H6O2/c1-2-4-11(5-3-1)8-13-9-14-12(10-15-13)6-7-16-14;1-2-5-3-4/h1-7,9-10H,8H2;3H,2H2,1H3.
What are the key properties of 6-benzylthieno[3,2-c]pyridine;ethyl formate?
6-benzylthieno[3,2-c]pyridine;ethyl formate has a molecular weight of 299.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylthieno[3,2-c]pyridine;ethyl formate is sourced from PubChem (CID 155233699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).