2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid

C8H5F2IN2O4 — CID 118843110

IUPAC2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(I)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C8H5F2IN2O4/c9-8(10)6-7(13(16)17)4(11)1-3(12-6)2-5(14)15/h1,8H,2H2,(H,14,15)
InChIKeyCQXIOIDNAGGVGL-UHFFFAOYSA-N
MW358.04 g/mol
LogP2.16
Rot. Bonds4

About 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid

2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid (PubChem CID 118843110) has the molecular formula C8H5F2IN2O4 and a molecular weight of 358.04 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
PubChem CID118843110
Molecular FormulaC8H5F2IN2O4
Molecular Weight358.04 g/mol
Exact Mass357.93
IUPAC Name2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(I)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C8H5F2IN2O4/c9-8(10)6-7(13(16)17)4(11)1-3(12-6)2-5(14)15/h1,8H,2H2,(H,14,15)
InChIKeyCQXIOIDNAGGVGL-UHFFFAOYSA-N
XLogP2.16
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.04
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetate
CID 133100905
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
CID 118829209
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
methyl 2-[4-chloro-6-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134670969
2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101376
2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134685549
2-[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]acetic acid
CID 118835338
2-[6-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
CID 118999551
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid (CID 118843110) is 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid is O=C(O)Cc1cc(I)c([N+](=O)[O-])c(C(F)F)n1.
What is the InChIKey of 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid?
The InChIKey is CQXIOIDNAGGVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O4/c9-8(10)6-7(13(16)17)4(11)1-3(12-6)2-5(14)15/h1,8H,2H2,(H,14,15).
What are the key properties of 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid?
2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid has a molecular weight of 358.04 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid is sourced from PubChem (CID 118843110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).