2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid

C8H5ClF2N2O4 — CID 134685549

IUPAC2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(C(F)F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF2N2O4/c9-3-1-5(13(16)17)4(2-6(14)15)12-7(3)8(10)11/h1,8H,2H2,(H,14,15)
InChIKeyXCUJSBRVSZRHPC-UHFFFAOYSA-N
MW266.59 g/mol
LogP2.21
Rot. Bonds4

About 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid

2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid (PubChem CID 134685549) has the molecular formula C8H5ClF2N2O4 and a molecular weight of 266.59 g/mol. Its IUPAC name is 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
PubChem CID134685549
Molecular FormulaC8H5ClF2N2O4
Molecular Weight266.59 g/mol
Exact Mass265.99
IUPAC Name2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(C(F)F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF2N2O4/c9-3-1-5(13(16)17)4(2-6(14)15)12-7(3)8(10)11/h1,8H,2H2,(H,14,15)
InChIKeyXCUJSBRVSZRHPC-UHFFFAOYSA-N
XLogP2.21
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.59
LogP ≤ 52.21
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'}

Analyze 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(difluoromethyl)-5-fluoro-3-nitro-2-pyridinyl]acetic acid
CID 118803536
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036
[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
2-[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetic acid
CID 118803866
2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid
CID 130830429
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
CID 130071661
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
CID 118843110

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid (CID 134685549) is 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid is O=C(O)Cc1nc(C(F)F)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid?
The InChIKey is XCUJSBRVSZRHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O4/c9-3-1-5(13(16)17)4(2-6(14)15)12-7(3)8(10)11/h1,8H,2H2,(H,14,15).
What are the key properties of 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid?
2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid has a molecular weight of 266.59 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid is sourced from PubChem (CID 134685549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).