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

C14H14ClFN2S — CID 105383564

IUPAC5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1nccc(CCl)c1F
InChIInChI=1S/C14H14ClFN2S/c1-9-11-4-7-19-12(11)3-6-18(9)14-13(16)10(8-15)2-5-17-14/h2,4-5,7,9H,3,6,8H2,1H3
InChIKeyRSQPIWSGBPCVAF-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.14
Rot. Bonds2

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

5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 105383564) has the molecular formula C14H14ClFN2S and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID105383564
Molecular FormulaC14H14ClFN2S
Molecular Weight296.80 g/mol
Exact Mass296.06
IUPAC Name5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1nccc(CCl)c1F
InChIInChI=1S/C14H14ClFN2S/c1-9-11-4-7-19-12(11)3-6-18(9)14-13(16)10(8-15)2-5-17-14/h2,4-5,7,9H,3,6,8H2,1H3
InChIKeyRSQPIWSGBPCVAF-UHFFFAOYSA-N
XLogP4.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 105383564) is 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1c1nccc(CCl)c1F.
What is the InChIKey of 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is RSQPIWSGBPCVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2S/c1-9-11-4-7-19-12(11)3-6-18(9)14-13(16)10(8-15)2-5-17-14/h2,4-5,7,9H,3,6,8H2,1H3.
What are the key properties of 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 296.80 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 105383564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).