2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid

C9H8F2N2O4 — CID 118839869

IUPAC2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
SMILESCc1cc(C(F)F)c([N+](=O)[O-])c(CC(=O)O)n1
InChIInChI=1S/C9H8F2N2O4/c1-4-2-5(9(10)11)8(13(16)17)6(12-4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15)
InChIKeyIEXUDYWFBFTADV-UHFFFAOYSA-N
MW246.17 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid

2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid (PubChem CID 118839869) has the molecular formula C9H8F2N2O4 and a molecular weight of 246.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
PubChem CID118839869
Molecular FormulaC9H8F2N2O4
Molecular Weight246.17 g/mol
Exact Mass246.05
IUPAC Name2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
SMILESCc1cc(C(F)F)c([N+](=O)[O-])c(CC(=O)O)n1
InChIInChI=1S/C9H8F2N2O4/c1-4-2-5(9(10)11)8(13(16)17)6(12-4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15)
InChIKeyIEXUDYWFBFTADV-UHFFFAOYSA-N
XLogP1.86
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 51.86
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-bromo-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134675378
2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
CID 118846525
methyl 2-[4-(difluoromethyl)-6-fluoro-3-nitro-2-pyridinyl]acetate
CID 133105165
ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134661846
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
2-[5-cyano-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134684158
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
CID 133099090
ethyl 2-[4-(difluoromethyl)-6-methyl-2-nitro-3-pyridinyl]acetate
CID 133098653
2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118824053
2-[6-(difluoromethyl)-5-fluoro-3-nitro-2-pyridinyl]acetic acid
CID 118803536

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid (CID 118839869) is 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid is Cc1cc(C(F)F)c([N+](=O)[O-])c(CC(=O)O)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid?
The InChIKey is IEXUDYWFBFTADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O4/c1-4-2-5(9(10)11)8(13(16)17)6(12-4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15).
What are the key properties of 2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid has a molecular weight of 246.17 g/mol, XLogP of 1.86, 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-methyl-3-nitro-2-pyridinyl]acetic acid is sourced from PubChem (CID 118839869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).