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

C14H15ClN2S — CID 113378829

IUPAC5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1cc(CCl)cc(N2CCc3sccc3C2)n1
InChIInChI=1S/C14H15ClN2S/c1-10-6-11(8-15)7-14(16-10)17-4-2-13-12(9-17)3-5-18-13/h3,5-7H,2,4,8-9H2,1H3
InChIKeyWPFVYVNFIFHTFU-UHFFFAOYSA-N
MW278.81 g/mol
LogP3.75
Rot. Bonds2

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

5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 113378829) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID113378829
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1cc(CCl)cc(N2CCc3sccc3C2)n1
InChIInChI=1S/C14H15ClN2S/c1-10-6-11(8-15)7-14(16-10)17-4-2-13-12(9-17)3-5-18-13/h3,5-7H,2,4,8-9H2,1H3
InChIKeyWPFVYVNFIFHTFU-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80764293
5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 66466630
[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazin-2-yl]methanamine
CID 66455969
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81060692
5-[3-(chloromethyl)isoquinolin-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 61256577
[2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine
CID 80968402
5-[4-(chloromethyl)-2-nitrophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 28964338
5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63734924
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpyridin-2-amine
CID 80764887
1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine
CID 114925026
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62765356
[5-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]methanol
CID 61252229

Frequently Asked Questions

What is the IUPAC name of 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 113378829) is 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1cc(CCl)cc(N2CCc3sccc3C2)n1.
What is the InChIKey of 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is WPFVYVNFIFHTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-10-6-11(8-15)7-14(16-10)17-4-2-13-12(9-17)3-5-18-13/h3,5-7H,2,4,8-9H2,1H3.
What are the key properties of 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 278.81 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 113378829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).