5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine

C12H8BrClFNO — CID 107089215

IUPAC5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
SMILESFc1c(Cl)cccc1Oc1ccc(CBr)cn1
InChIInChI=1S/C12H8BrClFNO/c13-6-8-4-5-11(16-7-8)17-10-3-1-2-9(14)12(10)15/h1-5,7H,6H2
InChIKeyHNUCPSZRLYFGAK-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.56
Rot. Bonds3

About 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine

5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine (PubChem CID 107089215) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
PubChem CID107089215
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
SMILESFc1c(Cl)cccc1Oc1ccc(CBr)cn1
InChIInChI=1S/C12H8BrClFNO/c13-6-8-4-5-11(16-7-8)17-10-3-1-2-9(14)12(10)15/h1-5,7H,6H2
InChIKeyHNUCPSZRLYFGAK-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116689541
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689574
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
CID 107087158
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine
CID 80639795
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine
CID 107500369
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
CID 107088439

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine (CID 107089215) is 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine is Fc1c(Cl)cccc1Oc1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine?
The InChIKey is HNUCPSZRLYFGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-6-8-4-5-11(16-7-8)17-10-3-1-2-9(14)12(10)15/h1-5,7H,6H2.
What are the key properties of 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine?
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine has a molecular weight of 316.56 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine is sourced from PubChem (CID 107089215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).