ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate

C10H7ClF2N2O2 — CID 134674106

IUPACethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)cc(C(F)F)c1C#N
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)8-6(4-14)5(9(12)13)3-7(11)15-8/h3,9H,2H2,1H3
InChIKeyDWLOEOZYNBNWFQ-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.72
Rot. Bonds3

About ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate

ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134674106) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134674106
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Nameethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)cc(C(F)F)c1C#N
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)8-6(4-14)5(9(12)13)3-7(11)15-8/h3,9H,2H2,1H3
InChIKeyDWLOEOZYNBNWFQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(chloromethyl)-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 133106560
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134664578
ethyl 3-(chloromethyl)-4-cyano-5-(difluoromethyl)benzoate
CID 134651184
ethyl 5-cyano-4-(difluoromethyl)-6-iodopyridine-2-carboxylate
CID 134684272
ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134685121
ethyl 3-bromo-4-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 134677909
ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134685934
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
ethyl 4-(bromomethyl)-3-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107850
ethyl 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134672008
ethyl 5-(chloromethyl)-4-cyano-3-(difluoromethyl)pyridine-2-carboxylate
CID 133107206

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate (CID 134674106) is ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1nc(Cl)cc(C(F)F)c1C#N.
What is the InChIKey of ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is DWLOEOZYNBNWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)8-6(4-14)5(9(12)13)3-7(11)15-8/h3,9H,2H2,1H3.
What are the key properties of ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-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 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134674106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).