2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol

C11H6BrClFNO — CID 106763882

IUPAC2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol
SMILESOc1cccnc1-c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H6BrClFNO/c12-7-4-3-6(10(14)9(7)13)11-8(16)2-1-5-15-11/h1-5,16H
InChIKeyVYGULVMTAQVKFJ-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.01
Rot. Bonds1

About 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol

2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol (PubChem CID 106763882) has the molecular formula C11H6BrClFNO and a molecular weight of 302.53 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol
PubChem CID106763882
Molecular FormulaC11H6BrClFNO
Molecular Weight302.53 g/mol
Exact Mass300.93
IUPAC Name2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol
SMILESOc1cccnc1-c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H6BrClFNO/c12-7-4-3-6(10(14)9(7)13)11-8(16)2-1-5-15-11/h1-5,16H
InChIKeyVYGULVMTAQVKFJ-UHFFFAOYSA-N
XLogP4.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol?
The IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol (CID 106763882) is 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol?
The canonical SMILES for 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol is Oc1cccnc1-c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol?
The InChIKey is VYGULVMTAQVKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFNO/c12-7-4-3-6(10(14)9(7)13)11-8(16)2-1-5-15-11/h1-5,16H.
What are the key properties of 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol?
2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol has a molecular weight of 302.53 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol is sourced from PubChem (CID 106763882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).