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

C10H7ClF2N2O2 — CID 134674109

IUPACethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)nc(C#N)c1Cl
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)5-3-6(9(12)13)15-7(4-14)8(5)11/h3,9H,2H2,1H3
InChIKeyYZOBXRUBGOMRJY-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.72
Rot. Bonds3

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

ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate (PubChem CID 134674109) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
PubChem CID134674109
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Nameethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)nc(C#N)c1Cl
InChIInChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)5-3-6(9(12)13)15-7(4-14)8(5)11/h3,9H,2H2,1H3
InChIKeyYZOBXRUBGOMRJY-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-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134686539
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 134674108
ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134684145
ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134685207
ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 86618293
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 6-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 133105829
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate (CID 134674109) is ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1cc(C(F)F)nc(C#N)c1Cl.
What is the InChIKey of ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate?
The InChIKey is YZOBXRUBGOMRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-2-17-10(16)5-3-6(9(12)13)15-7(4-14)8(5)11/h3,9H,2H2,1H3.
What are the key properties of ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate?
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-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-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134674109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).