7-chloro-2,4-dimethylthieno[2,3-c]pyridine

C9H8ClNS — CID 130048871

IUPAC7-chloro-2,4-dimethylthieno[2,3-c]pyridine
SMILESCc1cc2c(C)cnc(Cl)c2s1
InChIInChI=1S/C9H8ClNS/c1-5-4-11-9(10)8-7(5)3-6(2)12-8/h3-4H,1-2H3
InChIKeyFZGHRBKUIKNTIY-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.57
Rot. Bonds

About 7-chloro-2,4-dimethylthieno[2,3-c]pyridine

7-chloro-2,4-dimethylthieno[2,3-c]pyridine (PubChem CID 130048871) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is 7-chloro-2,4-dimethylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-chloro-2,4-dimethylthieno[2,3-c]pyridine
PubChem CID130048871
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name7-chloro-2,4-dimethylthieno[2,3-c]pyridine
SMILESCc1cc2c(C)cnc(Cl)c2s1
InChIInChI=1S/C9H8ClNS/c1-5-4-11-9(10)8-7(5)3-6(2)12-8/h3-4H,1-2H3
InChIKeyFZGHRBKUIKNTIY-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 53.57
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

4-chloro-2,7-dimethylthieno[3,2-c]pyridine
CID 130047480
4-chloro-7-methyl-[1,3]thiazolo[4,5-c]pyridine
CID 76850479
methyl 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxylate
CID 58622488
2,4,5-trimethyl-1-benzothiophene
CID 54060383
(2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine
CID 130048890
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane
CID 144537701
(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol
CID 130048898
5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537
2,5,7-trimethylthieno[3,2-e][1,3]benzothiazole
CID 59782205
4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine
CID 115528625
2-chloro-3,5-dimethylthiophene;ethane
CID 142092125

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4-dimethylthieno[2,3-c]pyridine?
The IUPAC name of 7-chloro-2,4-dimethylthieno[2,3-c]pyridine (CID 130048871) is 7-chloro-2,4-dimethylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-chloro-2,4-dimethylthieno[2,3-c]pyridine?
The canonical SMILES for 7-chloro-2,4-dimethylthieno[2,3-c]pyridine is Cc1cc2c(C)cnc(Cl)c2s1.
What is the InChIKey of 7-chloro-2,4-dimethylthieno[2,3-c]pyridine?
The InChIKey is FZGHRBKUIKNTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS/c1-5-4-11-9(10)8-7(5)3-6(2)12-8/h3-4H,1-2H3.
What are the key properties of 7-chloro-2,4-dimethylthieno[2,3-c]pyridine?
7-chloro-2,4-dimethylthieno[2,3-c]pyridine has a molecular weight of 197.69 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4-dimethylthieno[2,3-c]pyridine is sourced from PubChem (CID 130048871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).