methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate

C10H7F2IN2O2 — CID 134675477

IUPACmethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(I)nc1C#N
InChIInChI=1S/C10H7F2IN2O2/c1-17-8(16)3-5-2-6(9(11)12)10(13)15-7(5)4-14/h2,9H,3H2,1H3
InChIKeyAMMVEZNSYMZFLF-UHFFFAOYSA-N
MW352.08 g/mol
LogP2.21
Rot. Bonds3

About methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate

methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate (PubChem CID 134675477) has the molecular formula C10H7F2IN2O2 and a molecular weight of 352.08 g/mol. Its IUPAC name is methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
PubChem CID134675477
Molecular FormulaC10H7F2IN2O2
Molecular Weight352.08 g/mol
Exact Mass351.95
IUPAC Namemethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(I)nc1C#N
InChIInChI=1S/C10H7F2IN2O2/c1-17-8(16)3-5-2-6(9(11)12)10(13)15-7(5)4-14/h2,9H,3H2,1H3
InChIKeyAMMVEZNSYMZFLF-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
methyl 2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675744
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100336
methyl 2-[5-cyano-3-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134674373
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
methyl 2-[3-cyano-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134686464
methyl 2-[5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100717
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate (CID 134675477) is methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(I)nc1C#N.
What is the InChIKey of methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The InChIKey is AMMVEZNSYMZFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2IN2O2/c1-17-8(16)3-5-2-6(9(11)12)10(13)15-7(5)4-14/h2,9H,3H2,1H3.
What are the key properties of methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-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-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate is sourced from PubChem (CID 134675477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).