ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate

C10H7F3N2O2 — CID 134685699

IUPACethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C#N)c(C(F)F)c1F
InChIInChI=1S/C10H7F3N2O2/c1-2-17-10(16)5-4-15-6(3-14)7(8(5)11)9(12)13/h4,9H,2H2,1H3
InChIKeyQRNFWUYPHVKQQZ-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.21
Rot. Bonds3

About ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate

ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate (PubChem CID 134685699) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
PubChem CID134685699
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Nameethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C#N)c(C(F)F)c1F
InChIInChI=1S/C10H7F3N2O2/c1-2-17-10(16)5-4-15-6(3-14)7(8(5)11)9(12)13/h4,9H,2H2,1H3
InChIKeyQRNFWUYPHVKQQZ-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 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134662470
methyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134673866
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 134674108
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
ethyl 2-cyano-5-methylpyridine-3-carboxylate
CID 117275747
ethyl 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-carboxylate
CID 134677907
ethyl 4-cyano-6-fluoropyridine-3-carboxylate
CID 130863255
methyl 5-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103653
ethyl 5-chloro-4-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674110
ethyl 2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 133106920
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate (CID 134685699) is ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate is CCOC(=O)c1cnc(C#N)c(C(F)F)c1F.
What is the InChIKey of ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The InChIKey is QRNFWUYPHVKQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-2-17-10(16)5-4-15-6(3-14)7(8(5)11)9(12)13/h4,9H,2H2,1H3.
What are the key properties of ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-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)-4-fluoropyridine-3-carboxylate is sourced from PubChem (CID 134685699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).