ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate

C10H7ClF2N2O2 — CID 134685274

IUPACethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C#N)c(C(F)F)c1Cl
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)8-7(11)6(9(12)13)5(3-14)4-15-8/h4,9H,2H2,1H3
InChIKeyLXUYRDJXMABVCY-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.72
Rot. Bonds3

About ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate

ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134685274) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134685274
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Nameethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C#N)c(C(F)F)c1Cl
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)8-7(11)6(9(12)13)5(3-14)4-15-8/h4,9H,2H2,1H3
InChIKeyLXUYRDJXMABVCY-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 3-bromo-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134668069
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 134674108
ethyl 5-(chloromethyl)-4-cyano-3-(difluoromethyl)pyridine-2-carboxylate
CID 133107206
ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134685125
ethyl 2-[2-chloro-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134676476
ethyl 4-cyano-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133106098
ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134675024
ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134662400
ethyl 3-bromo-4-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 134677909
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
CID 133088342
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
ethyl 5-chloro-4-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674110

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate (CID 134685274) is ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ncc(C#N)c(C(F)F)c1Cl.
What is the InChIKey of ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is LXUYRDJXMABVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)8-7(11)6(9(12)13)5(3-14)4-15-8/h4,9H,2H2,1H3.
What are the key properties of ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
ethyl 3-chloro-5-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 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134685274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).