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

C9H5F2IN2O2 — CID 130077721

IUPAC2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
SMILESN#Cc1cc(CC(=O)O)nc(C(F)F)c1I
InChIInChI=1S/C9H5F2IN2O2/c10-9(11)8-7(12)4(3-13)1-5(14-8)2-6(15)16/h1,9H,2H2,(H,15,16)
InChIKeyKVXBVTSGQULZQW-UHFFFAOYSA-N
MW338.05 g/mol
LogP2.12
Rot. Bonds3

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

2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid (PubChem CID 130077721) has the molecular formula C9H5F2IN2O2 and a molecular weight of 338.05 g/mol. Its IUPAC name is 2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
PubChem CID130077721
Molecular FormulaC9H5F2IN2O2
Molecular Weight338.05 g/mol
Exact Mass337.94
IUPAC Name2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
SMILESN#Cc1cc(CC(=O)O)nc(C(F)F)c1I
InChIInChI=1S/C9H5F2IN2O2/c10-9(11)8-7(12)4(3-13)1-5(14-8)2-6(15)16/h1,9H,2H2,(H,15,16)
InChIKeyKVXBVTSGQULZQW-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-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
2-[5-(bromomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106578
2-[5-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106523
2-[6-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
CID 118999551
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071417
2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101376
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
CID 118843110
6-(chloromethyl)-4-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079169
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid (CID 130077721) is 2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid is N#Cc1cc(CC(=O)O)nc(C(F)F)c1I.
What is the InChIKey of 2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid?
The InChIKey is KVXBVTSGQULZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2IN2O2/c10-9(11)8-7(12)4(3-13)1-5(14-8)2-6(15)16/h1,9H,2H2,(H,15,16).
What are the key properties of 2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid?
2-[4-cyano-6-(difluoromethyl)-5-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-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid is sourced from PubChem (CID 130077721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).