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

C8H6F2N2O4 — CID 118829209

IUPAC2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)cc([N+](=O)[O-])n1
InChIInChI=1S/C8H6F2N2O4/c9-8(10)4-1-5(3-7(13)14)11-6(2-4)12(15)16/h1-2,8H,3H2,(H,13,14)
InChIKeyIFIIBQFVWGGCIJ-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.55
Rot. Bonds4

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

2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid (PubChem CID 118829209) has the molecular formula C8H6F2N2O4 and a molecular weight of 232.14 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
PubChem CID118829209
Molecular FormulaC8H6F2N2O4
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)cc([N+](=O)[O-])n1
InChIInChI=1S/C8H6F2N2O4/c9-8(10)4-1-5(3-7(13)14)11-6(2-4)12(15)16/h1-2,8H,3H2,(H,13,14)
InChIKeyIFIIBQFVWGGCIJ-UHFFFAOYSA-N
XLogP1.55
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
CID 118843110
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
2-[4-cyano-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
CID 133106698
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
2-[3-(difluoromethyl)-2-methoxy-6-nitro-4-pyridinyl]acetic acid
CID 133099947
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-[5-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]acetic acid
CID 133098992
2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
CID 118839869
2-[6-bromo-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134675378
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid (CID 118829209) is 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)F)cc([N+](=O)[O-])n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid?
The InChIKey is IFIIBQFVWGGCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O4/c9-8(10)4-1-5(3-7(13)14)11-6(2-4)12(15)16/h1-2,8H,3H2,(H,13,14).
What are the key properties of 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid has a molecular weight of 232.14 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid is sourced from PubChem (CID 118829209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).