4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine

C11H10ClNS — CID 130048743

IUPAC4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine
SMILESCc1csc2c(C3CC3)cnc(Cl)c12
InChIInChI=1S/C11H10ClNS/c1-6-5-14-10-8(7-2-3-7)4-13-11(12)9(6)10/h4-5,7H,2-3H2,1H3
InChIKeyPKUBXZVWPHXCPC-UHFFFAOYSA-N
MW223.73 g/mol
LogP4.14
Rot. Bonds1

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

4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine (PubChem CID 130048743) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine
PubChem CID130048743
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine
SMILESCc1csc2c(C3CC3)cnc(Cl)c12
InChIInChI=1S/C11H10ClNS/c1-6-5-14-10-8(7-2-3-7)4-13-11(12)9(6)10/h4-5,7H,2-3H2,1H3
InChIKeyPKUBXZVWPHXCPC-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine?
The IUPAC name of 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine (CID 130048743) is 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine?
The canonical SMILES for 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine is Cc1csc2c(C3CC3)cnc(Cl)c12.
What is the InChIKey of 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine?
The InChIKey is PKUBXZVWPHXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c1-6-5-14-10-8(7-2-3-7)4-13-11(12)9(6)10/h4-5,7H,2-3H2,1H3.
What are the key properties of 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine?
4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine has a molecular weight of 223.73 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine is sourced from PubChem (CID 130048743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).