ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate

C10H11BrF2N2O2 — CID 134683777

IUPACethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CBr)cc(N)nc1C(F)F
InChIInChI=1S/C10H11BrF2N2O2/c1-2-17-10(16)7-5(4-11)3-6(14)15-8(7)9(12)13/h3,9H,2,4H2,1H3,(H2,14,15)
InChIKeyRICPJLBBVSHTNF-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.67
Rot. Bonds4

About ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate

ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134683777) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134683777
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Nameethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CBr)cc(N)nc1C(F)F
InChIInChI=1S/C10H11BrF2N2O2/c1-2-17-10(16)7-5(4-11)3-6(14)15-8(7)9(12)13/h3,9H,2,4H2,1H3,(H2,14,15)
InChIKeyRICPJLBBVSHTNF-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
CID 134684313
ethyl 3-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylate
CID 134685320
ethyl 2-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134662497
methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134671535
ethyl 3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carboxylate
CID 130098237
ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
CID 133104874
ethyl 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 133103882
ethyl 2-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134677189
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839
ethyl 3-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100576
ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492
ethyl 2-(difluoromethyl)-4-fluoro-6-iodopyridine-3-carboxylate
CID 133105663

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate (CID 134683777) is ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(CBr)cc(N)nc1C(F)F.
What is the InChIKey of ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is RICPJLBBVSHTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-2-17-10(16)7-5(4-11)3-6(14)15-8(7)9(12)13/h3,9H,2,4H2,1H3,(H2,14,15).
What are the key properties of ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate?
ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 309.11 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134683777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).