methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate

C10H7BrF2N2O2 — CID 134685224

IUPACmethyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Br)cc(C#N)c1C(F)F
InChIInChI=1S/C10H7BrF2N2O2/c1-17-8(16)3-6-9(10(12)13)5(4-14)2-7(11)15-6/h2,10H,3H2,1H3
InChIKeyMXXYYBYJUIXJAO-UHFFFAOYSA-N
MW305.08 g/mol
LogP2.37
Rot. Bonds3

About methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134685224) has the molecular formula C10H7BrF2N2O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134685224
Molecular FormulaC10H7BrF2N2O2
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Namemethyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Br)cc(C#N)c1C(F)F
InChIInChI=1S/C10H7BrF2N2O2/c1-17-8(16)3-6-9(10(12)13)5(4-14)2-7(11)15-6/h2,10H,3H2,1H3
InChIKeyMXXYYBYJUIXJAO-UHFFFAOYSA-N
XLogP2.37
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 52.37
H-Bond Donors ≤ 50
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-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 133107710
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052
methyl 2-[5-(bromomethyl)-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133107532
methyl 2-[2-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686057
methyl 2-[5-cyano-3-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134674373
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
methyl 2-[3-cyano-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133106301
methyl 2-[4-bromo-6-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685357
methyl 2-[6-bromo-2-chloro-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134671637
methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134671182

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate (CID 134685224) is methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(Br)cc(C#N)c1C(F)F.
What is the InChIKey of methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is MXXYYBYJUIXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O2/c1-17-8(16)3-6-9(10(12)13)5(4-14)2-7(11)15-6/h2,10H,3H2,1H3.
What are the key properties of methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 305.08 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134685224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).