5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine

C12H9ClN2S — CID 58896982

IUPAC5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1csc(-c2c(Cl)cnc3[nH]ccc23)c1
InChIInChI=1S/C12H9ClN2S/c1-7-4-10(16-6-7)11-8-2-3-14-12(8)15-5-9(11)13/h2-6H,1H3,(H,14,15)
InChIKeyIBTHNWRQPHHTKS-UHFFFAOYSA-N
MW248.74 g/mol
LogP4.25
Rot. Bonds1

About 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine

5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58896982) has the molecular formula C12H9ClN2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID58896982
Molecular FormulaC12H9ClN2S
Molecular Weight248.74 g/mol
Exact Mass248.02
IUPAC Name5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1csc(-c2c(Cl)cnc3[nH]ccc23)c1
InChIInChI=1S/C12H9ClN2S/c1-7-4-10(16-6-7)11-8-2-3-14-12(8)15-5-9(11)13/h2-6H,1H3,(H,14,15)
InChIKeyIBTHNWRQPHHTKS-UHFFFAOYSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 58896982) is 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1csc(-c2c(Cl)cnc3[nH]ccc23)c1.
What is the InChIKey of 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IBTHNWRQPHHTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S/c1-7-4-10(16-6-7)11-8-2-3-14-12(8)15-5-9(11)13/h2-6H,1H3,(H,14,15).
What are the key properties of 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 248.74 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58896982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).