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

C10H7ClF2N2O2 — CID 86618293

IUPACethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Cl)nc1C(F)F
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)6-3-5(4-14)8(11)15-7(6)9(12)13/h3,9H,2H2,1H3
InChIKeyJEJVQIBSZRRJSX-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.72
Rot. Bonds3

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

ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 86618293) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID86618293
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Nameethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Cl)nc1C(F)F
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)6-3-5(4-14)8(11)15-7(6)9(12)13/h3,9H,2H2,1H3
InChIKeyJEJVQIBSZRRJSX-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-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134686538
ethyl 5-cyano-4-(difluoromethyl)-2-methylbenzoate
CID 134614253
methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134685308
ethyl 5-cyano-2-(difluoromethyl)-4-methylbenzoate
CID 134614320
ethyl 2-(bromomethyl)-5-cyano-4-(difluoromethyl)benzoate
CID 134650646
ethyl 4-cyano-2-(difluoromethyl)-5-ethylbenzoate
CID 134614504
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
ethyl 5-chloro-4-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674110
ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134685207
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate (CID 86618293) is ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)F.
What is the InChIKey of ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is JEJVQIBSZRRJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)6-3-5(4-14)8(11)15-7(6)9(12)13/h3,9H,2H2,1H3.
What are the key properties of ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate?
ethyl 6-chloro-5-cyano-2-(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 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 86618293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).