5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H17ClN2S — CID 81233771

IUPAC5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1cc(N2CCc3sccc3C2C)c(CCl)cn1
InChIInChI=1S/C15H17ClN2S/c1-10-7-14(12(8-16)9-17-10)18-5-3-15-13(11(18)2)4-6-19-15/h4,6-7,9,11H,3,5,8H2,1-2H3
InChIKeyPCCNKWQPEOSWSH-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.31
Rot. Bonds2

About 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 81233771) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID81233771
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1cc(N2CCc3sccc3C2C)c(CCl)cn1
InChIInChI=1S/C15H17ClN2S/c1-10-7-14(12(8-16)9-17-10)18-5-3-15-13(11(18)2)4-6-19-15/h4,6-7,9,11H,3,5,8H2,1-2H3
InChIKeyPCCNKWQPEOSWSH-UHFFFAOYSA-N
XLogP4.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 105383564
[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol
CID 83184198
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407
4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 62590534
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 55011051
5-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-4-amine
CID 83265918
[3-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanol
CID 55040315
N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
CID 55009024
5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103583276
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
CID 114844191
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79633122

Frequently Asked Questions

What is the IUPAC name of 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 81233771) is 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1cc(N2CCc3sccc3C2C)c(CCl)cn1.
What is the InChIKey of 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is PCCNKWQPEOSWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10-7-14(12(8-16)9-17-10)18-5-3-15-13(11(18)2)4-6-19-15/h4,6-7,9,11H,3,5,8H2,1-2H3.
What are the key properties of 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 292.84 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 81233771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).