6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid

C9H10F2N4O4 — CID 89273591

IUPAC6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid
SMILESCN(CC(F)F)c1nc(N)c([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C9H10F2N4O4/c1-14(3-6(10)11)8-4(9(16)17)2-5(15(18)19)7(12)13-8/h2,6H,3H2,1H3,(H2,12,13)(H,16,17)
InChIKeyGECVMYZXNJWXIF-UHFFFAOYSA-N
MW276.20 g/mol
LogP0.97
Rot. Bonds5

About 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid

6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid (PubChem CID 89273591) has the molecular formula C9H10F2N4O4 and a molecular weight of 276.20 g/mol. Its IUPAC name is 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid
PubChem CID89273591
Molecular FormulaC9H10F2N4O4
Molecular Weight276.20 g/mol
Exact Mass276.07
IUPAC Name6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid
SMILESCN(CC(F)F)c1nc(N)c([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C9H10F2N4O4/c1-14(3-6(10)11)8-4(9(16)17)2-5(15(18)19)7(12)13-8/h2,6H,3H2,1H3,(H2,12,13)(H,16,17)
InChIKeyGECVMYZXNJWXIF-UHFFFAOYSA-N
XLogP0.97
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid (CID 89273591) is 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid is CN(CC(F)F)c1nc(N)c([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid?
The InChIKey is GECVMYZXNJWXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O4/c1-14(3-6(10)11)8-4(9(16)17)2-5(15(18)19)7(12)13-8/h2,6H,3H2,1H3,(H2,12,13)(H,16,17).
What are the key properties of 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid?
6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid has a molecular weight of 276.20 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2,2-difluoroethyl(methyl)amino]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 89273591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).