ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate

C10H10BrF2NO3 — CID 134671675

IUPACethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)cc(C(F)F)c1OC
InChIInChI=1S/C10H10BrF2NO3/c1-3-17-10(15)7-8(16-2)5(9(12)13)4-6(11)14-7/h4,9H,3H2,1-2H3
InChIKeyQWMWVLJTSPPJOZ-UHFFFAOYSA-N
MW310.09 g/mol
LogP2.97
Rot. Bonds4

About ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate

ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate (PubChem CID 134671675) has the molecular formula C10H10BrF2NO3 and a molecular weight of 310.09 g/mol. Its IUPAC name is ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
PubChem CID134671675
Molecular FormulaC10H10BrF2NO3
Molecular Weight310.09 g/mol
Exact Mass308.98
IUPAC Nameethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)cc(C(F)F)c1OC
InChIInChI=1S/C10H10BrF2NO3/c1-3-17-10(15)7-8(16-2)5(9(12)13)4-6(11)14-7/h4,9H,3H2,1-2H3
InChIKeyQWMWVLJTSPPJOZ-UHFFFAOYSA-N
XLogP2.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 52.97
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

ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
CID 134684567
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
ethyl 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134674901
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 2-bromo-5-(difluoromethyl)-3-methoxypyridine-4-carboxylate
CID 134685048
ethyl 6-bromo-3-(bromomethyl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 134671978
ethyl 6-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylate
CID 134675368
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
ethyl 3-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-2-carboxylate
CID 134673743

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate (CID 134671675) is ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate is CCOC(=O)c1nc(Br)cc(C(F)F)c1OC.
What is the InChIKey of ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The InChIKey is QWMWVLJTSPPJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO3/c1-3-17-10(15)7-8(16-2)5(9(12)13)4-6(11)14-7/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 310.09 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 134671675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).