ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate

C10H7BrF2N2O2 — CID 134685207

IUPACethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)c(C(F)F)nc1C#N
InChIInChI=1S/C10H7BrF2N2O2/c1-2-17-10(16)5-3-6(11)8(9(12)13)15-7(5)4-14/h3,9H,2H2,1H3
InChIKeyIBZMBORIKVLFTD-UHFFFAOYSA-N
MW305.08 g/mol
LogP2.83
Rot. Bonds3

About ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate

ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134685207) has the molecular formula C10H7BrF2N2O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134685207
Molecular FormulaC10H7BrF2N2O2
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Nameethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)c(C(F)F)nc1C#N
InChIInChI=1S/C10H7BrF2N2O2/c1-2-17-10(16)5-3-6(11)8(9(12)13)15-7(5)4-14/h3,9H,2H2,1H3
InChIKeyIBZMBORIKVLFTD-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 86618293
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 2-[2-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686578
ethyl 3-(bromomethyl)-6-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107669
ethyl 2-[2-cyano-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetate
CID 134674384
ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134686538

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate (CID 134685207) is ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cc(Br)c(C(F)F)nc1C#N.
What is the InChIKey of ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is IBZMBORIKVLFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O2/c1-2-17-10(16)5-3-6(11)8(9(12)13)15-7(5)4-14/h3,9H,2H2,1H3.
What are the key properties of ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 305.08 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134685207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).