methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate

C10H11BrF2N2O2 — CID 134673522

IUPACmethyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(N)cc(CBr)c1C(F)F
InChIInChI=1S/C10H11BrF2N2O2/c1-17-8(16)3-6-9(10(12)13)5(4-11)2-7(14)15-6/h2,10H,3-4H2,1H3,(H2,14,15)
InChIKeyCJMUUGSNNIGZRL-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134673522) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134673522
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Namemethyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(N)cc(CBr)c1C(F)F
InChIInChI=1S/C10H11BrF2N2O2/c1-17-8(16)3-6-9(10(12)13)5(4-11)2-7(14)15-6/h2,10H,3-4H2,1H3,(H2,14,15)
InChIKeyCJMUUGSNNIGZRL-UHFFFAOYSA-N
XLogP2.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-bromo-6-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685357
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[6-(bromomethyl)-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133100544
ethyl 2-[4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134673151
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683410
4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
CID 130106319
methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134676457
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate (CID 134673522) is methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(N)cc(CBr)c1C(F)F.
What is the InChIKey of methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is CJMUUGSNNIGZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-17-8(16)3-6-9(10(12)13)5(4-11)2-7(14)15-6/h2,10H,3-4H2,1H3,(H2,14,15).
What are the key properties of methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 309.11 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134673522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).