ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate

C10H7ClF2N2O2 — CID 134674108

IUPACethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C#N)c(Cl)c1C(F)F
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)5-4-15-6(3-14)8(11)7(5)9(12)13/h4,9H,2H2,1H3
InChIKeyDVEUFWRBZXZIRR-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.72
Rot. Bonds3

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

ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134674108) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134674108
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Nameethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C#N)c(Cl)c1C(F)F
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)5-4-15-6(3-14)8(11)7(5)9(12)13/h4,9H,2H2,1H3
InChIKeyDVEUFWRBZXZIRR-UHFFFAOYSA-N
XLogP2.72
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.63
LogP ≤ 52.72
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
ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134685699
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 5-chloro-4-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674110
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134685274
ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671019
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
methyl 5-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103653
ethyl 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675420
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate (CID 134674108) is ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(C#N)c(Cl)c1C(F)F.
What is the InChIKey of ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is DVEUFWRBZXZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)5-4-15-6(3-14)8(11)7(5)9(12)13/h4,9H,2H2,1H3.
What are the key properties of ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate?
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 260.63 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134674108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).