4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol

C11H9N3OS — CID 67896665

IUPAC4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol
SMILESCc1scc(O)c1-c1nc2ccncc2[nH]1
InChIInChI=1S/C11H9N3OS/c1-6-10(9(15)5-16-6)11-13-7-2-3-12-4-8(7)14-11/h2-5,15H,1H3,(H,13,14)
InChIKeyBSBAPBHBUUSNMO-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.70
Rot. Bonds1

About 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol

4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol (PubChem CID 67896665) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol
PubChem CID67896665
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol
SMILESCc1scc(O)c1-c1nc2ccncc2[nH]1
InChIInChI=1S/C11H9N3OS/c1-6-10(9(15)5-16-6)11-13-7-2-3-12-4-8(7)14-11/h2-5,15H,1H3,(H,13,14)
InChIKeyBSBAPBHBUUSNMO-UHFFFAOYSA-N
XLogP2.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol?
The IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol (CID 67896665) is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol?
The canonical SMILES for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol is Cc1scc(O)c1-c1nc2ccncc2[nH]1.
What is the InChIKey of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol?
The InChIKey is BSBAPBHBUUSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-6-10(9(15)5-16-6)11-13-7-2-3-12-4-8(7)14-11/h2-5,15H,1H3,(H,13,14).
What are the key properties of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol?
4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol has a molecular weight of 231.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol is sourced from PubChem (CID 67896665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).