2-(chloromethyl)-4-thiophen-3-ylpyridine

C10H8ClNS — CID 139688384

IUPAC2-(chloromethyl)-4-thiophen-3-ylpyridine
SMILESClCc1cc(-c2ccsc2)ccn1
InChIInChI=1S/C10H8ClNS/c11-6-10-5-8(1-3-12-10)9-2-4-13-7-9/h1-5,7H,6H2
InChIKeyPCTCGGMDAFCQJX-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.55
Rot. Bonds2

About 2-(chloromethyl)-4-thiophen-3-ylpyridine

2-(chloromethyl)-4-thiophen-3-ylpyridine (PubChem CID 139688384) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 2-(chloromethyl)-4-thiophen-3-ylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-thiophen-3-ylpyridine
PubChem CID139688384
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name2-(chloromethyl)-4-thiophen-3-ylpyridine
SMILESClCc1cc(-c2ccsc2)ccn1
InChIInChI=1S/C10H8ClNS/c11-6-10-5-8(1-3-12-10)9-2-4-13-7-9/h1-5,7H,6H2
InChIKeyPCTCGGMDAFCQJX-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole
CID 139688379
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
(2-thiophen-3-ylpyrimidin-4-yl)methanamine
CID 62749673
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 121232314
(2-thiophen-3-ylpyrimidin-4-yl)methanol
CID 62748849
[phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid
CID 54673852
3-chloro-2-methyl-5-thiophen-3-ylpyridine
CID 123825784
cyclopenta[c]thiopyran
CID 584139
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
4,6-dichloro-5-thiophen-3-ylpyrimidine
CID 138643167
2-methyl-5-thiophen-3-ylpyrimidine
CID 143139185
2-(chloromethyl)pyridine-4-carboxamide
CID 22993396

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-thiophen-3-ylpyridine?
The IUPAC name of 2-(chloromethyl)-4-thiophen-3-ylpyridine (CID 139688384) is 2-(chloromethyl)-4-thiophen-3-ylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-thiophen-3-ylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-thiophen-3-ylpyridine is ClCc1cc(-c2ccsc2)ccn1.
What is the InChIKey of 2-(chloromethyl)-4-thiophen-3-ylpyridine?
The InChIKey is PCTCGGMDAFCQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c11-6-10-5-8(1-3-12-10)9-2-4-13-7-9/h1-5,7H,6H2.
What are the key properties of 2-(chloromethyl)-4-thiophen-3-ylpyridine?
2-(chloromethyl)-4-thiophen-3-ylpyridine has a molecular weight of 209.70 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-thiophen-3-ylpyridine is sourced from PubChem (CID 139688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).