ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate

C10H7F2IN2O2 — CID 134684998

IUPACethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate
SMILESCCOC(=O)c1cc(I)c(C(F)F)c(C#N)n1
InChIInChI=1S/C10H7F2IN2O2/c1-2-17-10(16)6-3-5(13)8(9(11)12)7(4-14)15-6/h3,9H,2H2,1H3
InChIKeyBDUHYXFESWOSME-UHFFFAOYSA-N
MW352.08 g/mol
LogP2.67
Rot. Bonds3

About ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate

ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate (PubChem CID 134684998) has the molecular formula C10H7F2IN2O2 and a molecular weight of 352.08 g/mol. Its IUPAC name is ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate
PubChem CID134684998
Molecular FormulaC10H7F2IN2O2
Molecular Weight352.08 g/mol
Exact Mass351.95
IUPAC Nameethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate
SMILESCCOC(=O)c1cc(I)c(C(F)F)c(C#N)n1
InChIInChI=1S/C10H7F2IN2O2/c1-2-17-10(16)6-3-5(13)8(9(11)12)7(4-14)15-6/h3,9H,2H2,1H3
InChIKeyBDUHYXFESWOSME-UHFFFAOYSA-N
XLogP2.67
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.08
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-cyano-5-(difluoromethyl)-6-iodopyridine-2-carboxylate
CID 134661200
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
ethyl 5-cyano-4-(difluoromethyl)-6-iodopyridine-2-carboxylate
CID 134684272
2-[6-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
CID 118999551
ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134664578
ethyl 2-[2-cyano-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetate
CID 134674384
ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096570
ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134685121
methyl 5-(difluoromethyl)-4-iodo-6-methylpyridine-2-carboxylate
CID 130086289
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 134658929

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate?
The IUPAC name of ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate (CID 134684998) is ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate?
The canonical SMILES for ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate is CCOC(=O)c1cc(I)c(C(F)F)c(C#N)n1.
What is the InChIKey of ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate?
The InChIKey is BDUHYXFESWOSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2IN2O2/c1-2-17-10(16)6-3-5(13)8(9(11)12)7(4-14)15-6/h3,9H,2H2,1H3.
What are the key properties of ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate?
ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate has a molecular weight of 352.08 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate is sourced from PubChem (CID 134684998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).