methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate

C15H12BrF2NO3 — CID 178091135

IUPACmethyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)(F)F)c(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C15H12BrF2NO3/c1-15(17,18)11-7-8-12(14(20)21-2)19-13(11)22-10-5-3-9(16)4-6-10/h3-8H,1-2H3
InChIKeyPPQAZHNHKZHPIT-UHFFFAOYSA-N
MW372.17 g/mol
LogP4.53
Rot. Bonds4

About methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate

methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate (PubChem CID 178091135) has the molecular formula C15H12BrF2NO3 and a molecular weight of 372.17 g/mol. Its IUPAC name is methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate
PubChem CID178091135
Molecular FormulaC15H12BrF2NO3
Molecular Weight372.17 g/mol
Exact Mass371.00
IUPAC Namemethyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)(F)F)c(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C15H12BrF2NO3/c1-15(17,18)11-7-8-12(14(20)21-2)19-13(11)22-10-5-3-9(16)4-6-10/h3-8H,1-2H3
InChIKeyPPQAZHNHKZHPIT-UHFFFAOYSA-N
XLogP4.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
CID 114408445
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate
CID 114409015
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 118023691
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
CID 114408949
methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408812
2-bromo-1-[4-(4-bromophenoxy)-2-(1,1-difluoroethyl)phenyl]ethanone
CID 134396555
methyl 6-[(5-bromo-3-pyridinyl)oxy]-5-nitropyridine-2-carboxylate
CID 114403292

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate (CID 178091135) is methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate is COC(=O)c1ccc(C(C)(F)F)c(Oc2ccc(Br)cc2)n1.
What is the InChIKey of methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate?
The InChIKey is PPQAZHNHKZHPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO3/c1-15(17,18)11-7-8-12(14(20)21-2)19-13(11)22-10-5-3-9(16)4-6-10/h3-8H,1-2H3.
What are the key properties of methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate?
methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate has a molecular weight of 372.17 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate is sourced from PubChem (CID 178091135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).