2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid

C9H5F2IN2O2 — CID 130077696

IUPAC2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
SMILESN#Cc1cc(I)c(C(F)F)c(CC(=O)O)n1
InChIInChI=1S/C9H5F2IN2O2/c10-9(11)8-5(12)1-4(3-13)14-6(8)2-7(15)16/h1,9H,2H2,(H,15,16)
InChIKeyUJPXDFWJHQWNDA-UHFFFAOYSA-N
MW338.05 g/mol
LogP2.12
Rot. Bonds3

About 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid

2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid (PubChem CID 130077696) has the molecular formula C9H5F2IN2O2 and a molecular weight of 338.05 g/mol. Its IUPAC name is 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
PubChem CID130077696
Molecular FormulaC9H5F2IN2O2
Molecular Weight338.05 g/mol
Exact Mass337.94
IUPAC Name2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
SMILESN#Cc1cc(I)c(C(F)F)c(CC(=O)O)n1
InChIInChI=1S/C9H5F2IN2O2/c10-9(11)8-5(12)1-4(3-13)14-6(8)2-7(15)16/h1,9H,2H2,(H,15,16)
InChIKeyUJPXDFWJHQWNDA-UHFFFAOYSA-N
XLogP2.12
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.05
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)-6-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118804263
2-[6-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
CID 118999551
2-[6-cyano-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077695
5-(difluoromethyl)-6-formyl-4-iodopyridine-2-carbonitrile
CID 130077547
2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850473
2-[4-cyano-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
CID 133106698
2-[3-(difluoromethyl)-6-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100106
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535
2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118818465

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid (CID 130077696) is 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid is N#Cc1cc(I)c(C(F)F)c(CC(=O)O)n1.
What is the InChIKey of 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid?
The InChIKey is UJPXDFWJHQWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2IN2O2/c10-9(11)8-5(12)1-4(3-13)14-6(8)2-7(15)16/h1,9H,2H2,(H,15,16).
What are the key properties of 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid?
2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid has a molecular weight of 338.05 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid is sourced from PubChem (CID 130077696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).