4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol

C12H13BrClNO2 — CID 170385853

IUPAC4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol
SMILESCc1cc(Cl)nc2c(Br)c(CCCCO)oc12
InChIInChI=1S/C12H13BrClNO2/c1-7-6-9(14)15-11-10(13)8(17-12(7)11)4-2-3-5-16/h6,16H,2-5H2,1H3
InChIKeyCIWLJSSMCNEOHH-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.87
Rot. Bonds4

About 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol

4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol (PubChem CID 170385853) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol
PubChem CID170385853
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol
SMILESCc1cc(Cl)nc2c(Br)c(CCCCO)oc12
InChIInChI=1S/C12H13BrClNO2/c1-7-6-9(14)15-11-10(13)8(17-12(7)11)4-2-3-5-16/h6,16H,2-5H2,1H3
InChIKeyCIWLJSSMCNEOHH-UHFFFAOYSA-N
XLogP3.87
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol?
The IUPAC name of 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol (CID 170385853) is 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol.
What is the SMILES notation for 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol?
The canonical SMILES for 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol is Cc1cc(Cl)nc2c(Br)c(CCCCO)oc12.
What is the InChIKey of 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol?
The InChIKey is CIWLJSSMCNEOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c1-7-6-9(14)15-11-10(13)8(17-12(7)11)4-2-3-5-16/h6,16H,2-5H2,1H3.
What are the key properties of 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol?
4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol has a molecular weight of 318.60 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-chloro-7-methylfuro[3,2-b]pyridin-2-yl)butan-1-ol is sourced from PubChem (CID 170385853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).