5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C10H12ClNS — CID 130636672

IUPAC5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC=C(Cl)CN1CCc2sccc2C1
InChIInChI=1S/C10H12ClNS/c1-8(11)6-12-4-2-10-9(7-12)3-5-13-10/h3,5H,1-2,4,6-7H2
InChIKeyIOPNTTFJMHFTFH-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.86
Rot. Bonds2

About 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 130636672) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID130636672
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC=C(Cl)CN1CCc2sccc2C1
InChIInChI=1S/C10H12ClNS/c1-8(11)6-12-4-2-10-9(7-12)3-5-13-10/h3,5H,1-2,4,6-7H2
InChIKeyIOPNTTFJMHFTFH-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62023511
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
(E)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)but-2-enoic acid
CID 62344122
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 18138052
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 62023323
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 60501926
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 130636672) is 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is C=C(Cl)CN1CCc2sccc2C1.
What is the InChIKey of 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is IOPNTTFJMHFTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-8(11)6-12-4-2-10-9(7-12)3-5-13-10/h3,5H,1-2,4,6-7H2.
What are the key properties of 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 213.73 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 130636672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).