4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol

C11H5BrClFN2O3 — CID 162441556

IUPAC4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(-c2cc(Cl)ccc2F)cc(Br)c1O
InChIInChI=1S/C11H5BrClFN2O3/c12-7-4-9(15-11(10(7)17)16(18)19)6-3-5(13)1-2-8(6)14/h1-4,17H
InChIKeyYVMBVMIGOUXXRX-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.92
Rot. Bonds2

About 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol

4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol (PubChem CID 162441556) has the molecular formula C11H5BrClFN2O3 and a molecular weight of 347.53 g/mol. Its IUPAC name is 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol.

Molecular Properties

Compound Name4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
PubChem CID162441556
Molecular FormulaC11H5BrClFN2O3
Molecular Weight347.53 g/mol
Exact Mass345.92
IUPAC Name4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(-c2cc(Cl)ccc2F)cc(Br)c1O
InChIInChI=1S/C11H5BrClFN2O3/c12-7-4-9(15-11(10(7)17)16(18)19)6-3-5(13)1-2-8(6)14/h1-4,17H
InChIKeyYVMBVMIGOUXXRX-UHFFFAOYSA-N
XLogP3.92
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol?
The IUPAC name of 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol (CID 162441556) is 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol.
What is the SMILES notation for 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol?
The canonical SMILES for 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol is O=[N+]([O-])c1nc(-c2cc(Cl)ccc2F)cc(Br)c1O.
What is the InChIKey of 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol?
The InChIKey is YVMBVMIGOUXXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN2O3/c12-7-4-9(15-11(10(7)17)16(18)19)6-3-5(13)1-2-8(6)14/h1-4,17H.
What are the key properties of 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol?
4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol has a molecular weight of 347.53 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol is sourced from PubChem (CID 162441556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).