3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine

C12H8BrClFNO — CID 115580509

IUPAC3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2cncc(Br)c2)cc1Cl
InChIInChI=1S/C12H8BrClFNO/c13-9-3-8(5-16-6-9)7-17-10-1-2-12(15)11(14)4-10/h1-6H,7H2
InChIKeyMFYSFVMMCVIXDB-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.22
Rot. Bonds3

About 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine

3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine (PubChem CID 115580509) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
PubChem CID115580509
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2cncc(Br)c2)cc1Cl
InChIInChI=1S/C12H8BrClFNO/c13-9-3-8(5-16-6-9)7-17-10-1-2-12(15)11(14)4-10/h1-6H,7H2
InChIKeyMFYSFVMMCVIXDB-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-chloro-4-fluorophenyl)methanamine
CID 113454158
2-[(5-bromo-3-pyridinyl)methoxy]-5-chloro-3-fluoroaniline
CID 114267715
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
3-[(5-bromo-3-pyridinyl)methoxy]-4-chloroaniline
CID 104795936

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine (CID 115580509) is 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine is Fc1ccc(OCc2cncc(Br)c2)cc1Cl.
What is the InChIKey of 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine?
The InChIKey is MFYSFVMMCVIXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-9-3-8(5-16-6-9)7-17-10-1-2-12(15)11(14)4-10/h1-6H,7H2.
What are the key properties of 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine?
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine has a molecular weight of 316.56 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine is sourced from PubChem (CID 115580509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).