methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate

C10H7F2IN2O2 — CID 134686434

IUPACmethyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(I)c1C#N
InChIInChI=1S/C10H7F2IN2O2/c1-17-9(16)3-7-5(4-14)6(13)2-8(15-7)10(11)12/h2,10H,3H2,1H3
InChIKeyDHEWFEFWDKSUSA-UHFFFAOYSA-N
MW352.08 g/mol
LogP2.21
Rot. Bonds3

About methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate

methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate (PubChem CID 134686434) has the molecular formula C10H7F2IN2O2 and a molecular weight of 352.08 g/mol. Its IUPAC name is methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
PubChem CID134686434
Molecular FormulaC10H7F2IN2O2
Molecular Weight352.08 g/mol
Exact Mass351.95
IUPAC Namemethyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(I)c1C#N
InChIInChI=1S/C10H7F2IN2O2/c1-17-9(16)3-7-5(4-14)6(13)2-8(15-7)10(11)12/h2,10H,3H2,1H3
InChIKeyDHEWFEFWDKSUSA-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134676492
methyl 2-[2-bromo-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetate
CID 171029553
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate
CID 133105815
methyl 2-[3-cyano-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134686464
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
methyl 2-[5-cyano-3-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134674373
methyl 2-[2-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686057
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate (CID 134686434) is methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)F)cc(I)c1C#N.
What is the InChIKey of methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate?
The InChIKey is DHEWFEFWDKSUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2IN2O2/c1-17-9(16)3-7-5(4-14)6(13)2-8(15-7)10(11)12/h2,10H,3H2,1H3.
What are the key properties of methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate?
methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate has a molecular weight of 352.08 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate is sourced from PubChem (CID 134686434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).