5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine

C13H9BrClF2NO — CID 171814189

IUPAC5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)c1ccc(COc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C13H9BrClF2NO/c14-10-5-11(15)13(18-6-10)19-7-8-1-3-9(4-2-8)12(16)17/h1-6,12H,7H2
InChIKeyUMSSBMLSYMNARH-UHFFFAOYSA-N
MW348.57 g/mol
LogP5.01
Rot. Bonds4

About 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine

5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine (PubChem CID 171814189) has the molecular formula C13H9BrClF2NO and a molecular weight of 348.57 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine
PubChem CID171814189
Molecular FormulaC13H9BrClF2NO
Molecular Weight348.57 g/mol
Exact Mass346.95
IUPAC Name5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)c1ccc(COc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C13H9BrClF2NO/c14-10-5-11(15)13(18-6-10)19-7-8-1-3-9(4-2-8)12(16)17/h1-6,12H,7H2
InChIKeyUMSSBMLSYMNARH-UHFFFAOYSA-N
XLogP5.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 103583744
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
CID 105368343
4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
CID 82825368
5-bromo-6-[(4-chlorophenyl)methoxy]pyridin-3-amine
CID 79534403
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine
CID 118193954
O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine
CID 117276972
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 65125298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine?
The IUPAC name of 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine (CID 171814189) is 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine is FC(F)c1ccc(COc2ncc(Br)cc2Cl)cc1.
What is the InChIKey of 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine?
The InChIKey is UMSSBMLSYMNARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2NO/c14-10-5-11(15)13(18-6-10)19-7-8-1-3-9(4-2-8)12(16)17/h1-6,12H,7H2.
What are the key properties of 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine?
5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine has a molecular weight of 348.57 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine is sourced from PubChem (CID 171814189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).