2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate

C10H9F2INO2- — CID 171922375

IUPAC2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate
SMILESCCc1c(C(F)F)cc(CC(=O)[O-])nc1I
InChIInChI=1S/C10H10F2INO2/c1-2-6-7(9(11)12)3-5(4-8(15)16)14-10(6)13/h3,9H,2,4H2,1H3,(H,15,16)/p-1
InChIKeyKCABWMZRZAVREP-UHFFFAOYSA-M
MW340.09 g/mol
LogP1.48
Rot. Bonds4

About 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate

2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate (PubChem CID 171922375) has the molecular formula C10H9F2INO2- and a molecular weight of 340.09 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate
PubChem CID171922375
Molecular FormulaC10H9F2INO2-
Molecular Weight340.09 g/mol
Exact Mass339.97
IUPAC Name2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate
SMILESCCc1c(C(F)F)cc(CC(=O)[O-])nc1I
InChIInChI=1S/C10H10F2INO2/c1-2-6-7(9(11)12)3-5(4-8(15)16)14-10(6)13/h3,9H,2,4H2,1H3,(H,15,16)/p-1
InChIKeyKCABWMZRZAVREP-UHFFFAOYSA-M
XLogP1.48
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[6-(chloromethyl)-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetic acid
CID 130087649
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348
ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134684588
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
CID 130073451
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
methyl 2-[6-bromo-4-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134685061
methyl 2-[6-bromo-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134686094
6-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082575
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674202
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate?
The IUPAC name of 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate (CID 171922375) is 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate?
The canonical SMILES for 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate is CCc1c(C(F)F)cc(CC(=O)[O-])nc1I.
What is the InChIKey of 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate?
The InChIKey is KCABWMZRZAVREP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10F2INO2/c1-2-6-7(9(11)12)3-5(4-8(15)16)14-10(6)13/h3,9H,2,4H2,1H3,(H,15,16)/p-1.
What are the key properties of 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate?
2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate has a molecular weight of 340.09 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-ethyl-6-iodo-2-pyridinyl]acetate is sourced from PubChem (CID 171922375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).