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

C10H7ClF2N2O2 — CID 134685877

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

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

ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134685877) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134685877
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Nameethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)cc(Cl)c1C#N
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)8-5(4-14)6(11)3-7(15-8)9(12)13/h3,9H,2H2,1H3
InChIKeyJRQQJEIGZOJCLT-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 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134674106
ethyl 6-(chloromethyl)-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 133106560
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
ethyl 4-cyano-6-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 133107301
ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103828
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134685934
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate (CID 134685877) is ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1nc(C(F)F)cc(Cl)c1C#N.
What is the InChIKey of ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is JRQQJEIGZOJCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)8-5(4-14)6(11)3-7(15-8)9(12)13/h3,9H,2H2,1H3.
What are the key properties of ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
ethyl 4-chloro-3-cyano-6-(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 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134685877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).