ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate

C10H7F3N2O2 — CID 134685934

IUPACethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C#N)c(C(F)F)cc1F
InChIInChI=1S/C10H7F3N2O2/c1-2-17-10(16)8-6(11)3-5(9(12)13)7(4-14)15-8/h3,9H,2H2,1H3
InChIKeyYVDNLGVKKXIZLP-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.21
Rot. Bonds3

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

ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate (PubChem CID 134685934) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
PubChem CID134685934
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Nameethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C#N)c(C(F)F)cc1F
InChIInChI=1S/C10H7F3N2O2/c1-2-17-10(16)8-6(11)3-5(9(12)13)7(4-14)15-8/h3,9H,2H2,1H3
InChIKeyYVDNLGVKKXIZLP-UHFFFAOYSA-N
XLogP2.21
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(bromomethyl)-6-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107669
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
ethyl 6-(chloromethyl)-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 133106560
ethyl 6-(bromomethyl)-2-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 133107641
ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134674106
ethyl 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104710
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 134672370
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134686538
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134686539
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate (CID 134685934) is ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate is CCOC(=O)c1nc(C#N)c(C(F)F)cc1F.
What is the InChIKey of ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The InChIKey is YVDNLGVKKXIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-2-17-10(16)8-6(11)3-5(9(12)13)7(4-14)15-8/h3,9H,2H2,1H3.
What are the key properties of ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate has a molecular weight of 244.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 134685934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).