7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile

C9H5ClN2S — CID 71121560

IUPAC7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile
SMILESCc1csc2c(Cl)c(C#N)cnc12
InChIInChI=1S/C9H5ClN2S/c1-5-4-13-9-7(10)6(2-11)3-12-8(5)9/h3-4H,1H3
InChIKeyIEEMEWAPEIRDHJ-UHFFFAOYSA-N
MW208.67 g/mol
LogP3.13
Rot. Bonds

About 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile

7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 71121560) has the molecular formula C9H5ClN2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile
PubChem CID71121560
Molecular FormulaC9H5ClN2S
Molecular Weight208.67 g/mol
Exact Mass207.99
IUPAC Name7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile
SMILESCc1csc2c(Cl)c(C#N)cnc12
InChIInChI=1S/C9H5ClN2S/c1-5-4-13-9-7(10)6(2-11)3-12-8(5)9/h3-4H,1H3
InChIKeyIEEMEWAPEIRDHJ-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile (CID 71121560) is 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile is Cc1csc2c(Cl)c(C#N)cnc12.
What is the InChIKey of 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is IEEMEWAPEIRDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2S/c1-5-4-13-9-7(10)6(2-11)3-12-8(5)9/h3-4H,1H3.
What are the key properties of 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile?
7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 208.67 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 71121560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).