6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile

C8H4ClN3S — CID 82394973

IUPAC6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nsc2nc(Cl)c(C#N)cc12
InChIInChI=1S/C8H4ClN3S/c1-4-6-2-5(3-10)7(9)11-8(6)13-12-4/h2H,1H3
InChIKeyCJDMDBOMEBGXIJ-UHFFFAOYSA-N
MW209.66 g/mol
LogP2.52
Rot. Bonds

About 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile

6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 82394973) has the molecular formula C8H4ClN3S and a molecular weight of 209.66 g/mol. Its IUPAC name is 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID82394973
Molecular FormulaC8H4ClN3S
Molecular Weight209.66 g/mol
Exact Mass208.98
IUPAC Name6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nsc2nc(Cl)c(C#N)cc12
InChIInChI=1S/C8H4ClN3S/c1-4-6-2-5(3-10)7(9)11-8(6)13-12-4/h2H,1H3
InChIKeyCJDMDBOMEBGXIJ-UHFFFAOYSA-N
XLogP2.52
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
6-chlorothieno[2,3-b]pyridine-5-carbonitrile
CID 82400712
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
CID 1476365
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022
6-tert-butyl-2-chloro-5-iodopyridine-3-carbonitrile
CID 121251135
2-chloro-5-methyl-6-propylpyridine-3-carbonitrile
CID 112757206
2,5-dichloro-6-ethylpyridine-3-carbonitrile
CID 14211647
5-acetyl-2,6-dichloropyridine-3-carbonitrile
CID 167702733
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 114834305
2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile
CID 5077889
2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carbonitrile
CID 79834189

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile (CID 82394973) is 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile is Cc1nsc2nc(Cl)c(C#N)cc12.
What is the InChIKey of 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is CJDMDBOMEBGXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3S/c1-4-6-2-5(3-10)7(9)11-8(6)13-12-4/h2H,1H3.
What are the key properties of 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile?
6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 209.66 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 82394973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).