2-tert-butyl-5-chlorothieno[3,2-b]pyridine

C11H12ClNS — CID 59102842

IUPAC2-tert-butyl-5-chlorothieno[3,2-b]pyridine
SMILESCC(C)(C)c1cc2nc(Cl)ccc2s1
InChIInChI=1S/C11H12ClNS/c1-11(2,3)9-6-7-8(14-9)4-5-10(12)13-7/h4-6H,1-3H3
InChIKeyDDNDENLWWABCKR-UHFFFAOYSA-N
MW225.74 g/mol
LogP4.25
Rot. Bonds

About 2-tert-butyl-5-chlorothieno[3,2-b]pyridine

2-tert-butyl-5-chlorothieno[3,2-b]pyridine (PubChem CID 59102842) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is 2-tert-butyl-5-chlorothieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-chlorothieno[3,2-b]pyridine
PubChem CID59102842
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name2-tert-butyl-5-chlorothieno[3,2-b]pyridine
SMILESCC(C)(C)c1cc2nc(Cl)ccc2s1
InChIInChI=1S/C11H12ClNS/c1-11(2,3)9-6-7-8(14-9)4-5-10(12)13-7/h4-6H,1-3H3
InChIKeyDDNDENLWWABCKR-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 158307894
2-tert-butylbenzo[f][1]benzothiole
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7-bromo-2-chloroquinoline;2-methylpropan-2-amine
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1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
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5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
3-(5-chloro-1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
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5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol
CID 117121243
5-tert-butylthieno[3,2-d][1,3]thiazole
CID 89458077
5-tert-butyl-3-chloro-2-methylthiophene
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2-tert-butyl-1,3-benzothiazole-5-carbonitrile
CID 117308454

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chlorothieno[3,2-b]pyridine?
The IUPAC name of 2-tert-butyl-5-chlorothieno[3,2-b]pyridine (CID 59102842) is 2-tert-butyl-5-chlorothieno[3,2-b]pyridine.
What is the SMILES notation for 2-tert-butyl-5-chlorothieno[3,2-b]pyridine?
The canonical SMILES for 2-tert-butyl-5-chlorothieno[3,2-b]pyridine is CC(C)(C)c1cc2nc(Cl)ccc2s1.
What is the InChIKey of 2-tert-butyl-5-chlorothieno[3,2-b]pyridine?
The InChIKey is DDNDENLWWABCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS/c1-11(2,3)9-6-7-8(14-9)4-5-10(12)13-7/h4-6H,1-3H3.
What are the key properties of 2-tert-butyl-5-chlorothieno[3,2-b]pyridine?
2-tert-butyl-5-chlorothieno[3,2-b]pyridine has a molecular weight of 225.74 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chlorothieno[3,2-b]pyridine is sourced from PubChem (CID 59102842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).