(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol

C8H5BrClNOS — CID 130048898

IUPAC(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol
SMILESOCc1cnc(Cl)c2sc(Br)cc12
InChIInChI=1S/C8H5BrClNOS/c9-6-1-5-4(3-12)2-11-8(10)7(5)13-6/h1-2,12H,3H2
InChIKeyAKGOCTBWLDJWJF-UHFFFAOYSA-N
MW278.56 g/mol
LogP3.20
Rot. Bonds1

About (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol

(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol (PubChem CID 130048898) has the molecular formula C8H5BrClNOS and a molecular weight of 278.56 g/mol. Its IUPAC name is (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol.

Molecular Properties

Compound Name(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol
PubChem CID130048898
Molecular FormulaC8H5BrClNOS
Molecular Weight278.56 g/mol
Exact Mass276.90
IUPAC Name(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol
SMILESOCc1cnc(Cl)c2sc(Br)cc12
InChIInChI=1S/C8H5BrClNOS/c9-6-1-5-4(3-12)2-11-8(10)7(5)13-6/h1-2,12H,3H2
InChIKeyAKGOCTBWLDJWJF-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol?
The IUPAC name of (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol (CID 130048898) is (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol.
What is the SMILES notation for (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol?
The canonical SMILES for (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol is OCc1cnc(Cl)c2sc(Br)cc12.
What is the InChIKey of (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol?
The InChIKey is AKGOCTBWLDJWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNOS/c9-6-1-5-4(3-12)2-11-8(10)7(5)13-6/h1-2,12H,3H2.
What are the key properties of (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol?
(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol has a molecular weight of 278.56 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol is sourced from PubChem (CID 130048898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).