3-chloro-4H-thieno[3,2-b]pyrrol-2-ol

C6H4ClNOS — CID 69289731

IUPAC3-chloro-4H-thieno[3,2-b]pyrrol-2-ol
SMILESOc1sc2cc[nH]c2c1Cl
InChIInChI=1S/C6H4ClNOS/c7-4-5-3(1-2-8-5)10-6(4)9/h1-2,8-9H
InChIKeyPGUXIYBVMXIDRN-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.59
Rot. Bonds

About 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol

3-chloro-4H-thieno[3,2-b]pyrrol-2-ol (PubChem CID 69289731) has the molecular formula C6H4ClNOS and a molecular weight of 173.62 g/mol. Its IUPAC name is 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol.

Molecular Properties

Compound Name3-chloro-4H-thieno[3,2-b]pyrrol-2-ol
PubChem CID69289731
Molecular FormulaC6H4ClNOS
Molecular Weight173.62 g/mol
Exact Mass172.97
IUPAC Name3-chloro-4H-thieno[3,2-b]pyrrol-2-ol
SMILESOc1sc2cc[nH]c2c1Cl
InChIInChI=1S/C6H4ClNOS/c7-4-5-3(1-2-8-5)10-6(4)9/h1-2,8-9H
InChIKeyPGUXIYBVMXIDRN-UHFFFAOYSA-N
XLogP2.59
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol?
The IUPAC name of 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol (CID 69289731) is 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol.
What is the SMILES notation for 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol?
The canonical SMILES for 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol is Oc1sc2cc[nH]c2c1Cl.
What is the InChIKey of 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol?
The InChIKey is PGUXIYBVMXIDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNOS/c7-4-5-3(1-2-8-5)10-6(4)9/h1-2,8-9H.
What are the key properties of 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol?
3-chloro-4H-thieno[3,2-b]pyrrol-2-ol has a molecular weight of 173.62 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4H-thieno[3,2-b]pyrrol-2-ol is sourced from PubChem (CID 69289731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).