methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate

C9H9BrF2N2O2 — CID 134669255

IUPACmethyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Br)c(C(F)F)cc1N
InChIInChI=1S/C9H9BrF2N2O2/c1-16-7(15)3-6-5(13)2-4(9(11)12)8(10)14-6/h2,9H,3,13H2,1H3
InChIKeyVLYWRKFJODVOJM-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.08
Rot. Bonds3

About methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134669255) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134669255
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Namemethyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Br)c(C(F)F)cc1N
InChIInChI=1S/C9H9BrF2N2O2/c1-16-7(15)3-6-5(13)2-4(9(11)12)8(10)14-6/h2,9H,3,13H2,1H3
InChIKeyVLYWRKFJODVOJM-UHFFFAOYSA-N
XLogP2.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669816
methyl 2-[3-amino-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134683210
methyl 2-[3-amino-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134677475
ethyl 2-[6-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134675103
methyl 2-[6-(aminomethyl)-5-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134670892
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133093457
methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134671182
methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134661772

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate (CID 134669255) is methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(Br)c(C(F)F)cc1N.
What is the InChIKey of methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is VLYWRKFJODVOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c1-16-7(15)3-6-5(13)2-4(9(11)12)8(10)14-6/h2,9H,3,13H2,1H3.
What are the key properties of methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 295.08 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134669255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).