2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine

C12H8BrClFNO — CID 103695221

IUPAC2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
SMILESFc1c(Cl)cccc1COc1cccnc1Br
InChIInChI=1S/C12H8BrClFNO/c13-12-10(5-2-6-16-12)17-7-8-3-1-4-9(14)11(8)15/h1-6H,7H2
InChIKeySIHSRXAPEPHLOX-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.22
Rot. Bonds3

About 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine

2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine (PubChem CID 103695221) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
PubChem CID103695221
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
SMILESFc1c(Cl)cccc1COc1cccnc1Br
InChIInChI=1S/C12H8BrClFNO/c13-12-10(5-2-6-16-12)17-7-8-3-1-4-9(14)11(8)15/h1-6H,7H2
InChIKeySIHSRXAPEPHLOX-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

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-[(5-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695175
5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098749
8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
CID 102855349
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
CID 102856373
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide
CID 65101965
3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 102855362
2-[(3-chloro-2-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 102855950
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]benzenecarbothioamide
CID 102855956

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine?
The IUPAC name of 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine (CID 103695221) is 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine.
What is the SMILES notation for 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine?
The canonical SMILES for 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine is Fc1c(Cl)cccc1COc1cccnc1Br.
What is the InChIKey of 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine?
The InChIKey is SIHSRXAPEPHLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-12-10(5-2-6-16-12)17-7-8-3-1-4-9(14)11(8)15/h1-6H,7H2.
What are the key properties of 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine?
2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]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 2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine is sourced from PubChem (CID 103695221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).